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- PDB-2wcd: Crystal structure of the assembled cytolysin A pore -

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基本情報

登録情報
データベース: PDB / ID: 2wcd
タイトルCrystal structure of the assembled cytolysin A pore
要素HEMOLYSIN E, CHROMOSOMAL
キーワードTOXIN / CYTOLYTIC PROTEIN / PORE-FORMING TOXIN / TRANSMEMBRANE PORE / MEMBRANE / SECRETED / CYTOLYSIS / PERIPLASM / HEMOLYSIS / TRANSMEMBRANE / DISULFIDE BOND
機能・相同性
機能・相同性情報


hemolysis in another organism / toxin activity / periplasmic space / host cell plasma membrane / extracellular region / identical protein binding / membrane
類似検索 - 分子機能
Hemolysin E / Haemolysin E (HlyE) / Hemolysin E; Chain: A; / Hemolysin E; Chain: A; - #10 / Up-down Bundle / Mainly Alpha
類似検索 - ドメイン・相同性
ETHYL MERCURY ION / Hemolysin E, chromosomal
類似検索 - 構成要素
生物種ESCHERICHIA COLI (大腸菌)
手法X線回折 / シンクロトロン / 単波長異常分散 / 解像度: 3.29 Å
データ登録者Mueller, M. / Grauschopf, U. / Maier, T. / Glockshuber, R. / Ban, N.
引用ジャーナル: Nature / 年: 2009
タイトル: The Structure of a Cytolytic Alpha-Helical Toxin Pore Reveals its Assembly Mechanism
著者: Mueller, M. / Grauschopf, U. / Maier, T. / Glockshuber, R. / Ban, N.
履歴
登録2009年3月11日登録サイト: PDBE / 処理サイト: PDBE
改定 1.02009年5月5日Provider: repository / タイプ: Initial release
改定 1.12011年5月8日Group: Version format compliance
改定 1.22011年7月13日Group: Version format compliance
改定 1.32024年5月8日Group: Data collection / Database references ...Data collection / Database references / Derived calculations / Other
カテゴリ: chem_comp_atom / chem_comp_bond ...chem_comp_atom / chem_comp_bond / database_2 / pdbx_database_status / struct_conn / struct_site
Item: _database_2.pdbx_DOI / _database_2.pdbx_database_accession ..._database_2.pdbx_DOI / _database_2.pdbx_database_accession / _pdbx_database_status.status_code_sf / _struct_conn.ptnr1_auth_comp_id / _struct_conn.ptnr1_auth_seq_id / _struct_conn.ptnr1_label_asym_id / _struct_conn.ptnr1_label_atom_id / _struct_conn.ptnr1_label_comp_id / _struct_conn.ptnr1_label_seq_id / _struct_conn.ptnr2_auth_comp_id / _struct_conn.ptnr2_auth_seq_id / _struct_conn.ptnr2_label_asym_id / _struct_conn.ptnr2_label_atom_id / _struct_conn.ptnr2_label_comp_id / _struct_conn.ptnr2_label_seq_id / _struct_site.pdbx_auth_asym_id / _struct_site.pdbx_auth_comp_id / _struct_site.pdbx_auth_seq_id

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構造の表示

構造ビューア分子:
MolmilJmol/JSmol

ダウンロードとリンク

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集合体

登録構造単位
A: HEMOLYSIN E, CHROMOSOMAL
B: HEMOLYSIN E, CHROMOSOMAL
C: HEMOLYSIN E, CHROMOSOMAL
D: HEMOLYSIN E, CHROMOSOMAL
E: HEMOLYSIN E, CHROMOSOMAL
F: HEMOLYSIN E, CHROMOSOMAL
G: HEMOLYSIN E, CHROMOSOMAL
H: HEMOLYSIN E, CHROMOSOMAL
I: HEMOLYSIN E, CHROMOSOMAL
J: HEMOLYSIN E, CHROMOSOMAL
K: HEMOLYSIN E, CHROMOSOMAL
L: HEMOLYSIN E, CHROMOSOMAL
M: HEMOLYSIN E, CHROMOSOMAL
N: HEMOLYSIN E, CHROMOSOMAL
O: HEMOLYSIN E, CHROMOSOMAL
P: HEMOLYSIN E, CHROMOSOMAL
Q: HEMOLYSIN E, CHROMOSOMAL
R: HEMOLYSIN E, CHROMOSOMAL
S: HEMOLYSIN E, CHROMOSOMAL
T: HEMOLYSIN E, CHROMOSOMAL
U: HEMOLYSIN E, CHROMOSOMAL
V: HEMOLYSIN E, CHROMOSOMAL
W: HEMOLYSIN E, CHROMOSOMAL
X: HEMOLYSIN E, CHROMOSOMAL
ヘテロ分子


分子量 (理論値)分子数
合計 (水以外)842,00672
ポリマ－830,98324
非ポリマー11,02348
水00
1


  • 登録構造と同一
  • ソフトウェアが定義した集合体
タイプ名称対称操作数
identity operation1_555x,y,z1
Buried area134970 Å2
ΔGint-464.87 kcal/mol
Surface area290090 Å2
手法PISA
2
A: HEMOLYSIN E, CHROMOSOMAL
B: HEMOLYSIN E, CHROMOSOMAL
C: HEMOLYSIN E, CHROMOSOMAL
D: HEMOLYSIN E, CHROMOSOMAL
E: HEMOLYSIN E, CHROMOSOMAL
F: HEMOLYSIN E, CHROMOSOMAL
G: HEMOLYSIN E, CHROMOSOMAL
H: HEMOLYSIN E, CHROMOSOMAL
I: HEMOLYSIN E, CHROMOSOMAL
J: HEMOLYSIN E, CHROMOSOMAL
K: HEMOLYSIN E, CHROMOSOMAL
L: HEMOLYSIN E, CHROMOSOMAL
ヘテロ分子


分子量 (理論値)分子数
合計 (水以外)421,00336
ポリマ－415,49212
非ポリマー5,51224
水0
タイプ名称対称操作数
identity operation1_555x,y,z1
Buried area64440 Å2
ΔGint-221.05 kcal/mol
Surface area148070 Å2
手法PISA
3
M: HEMOLYSIN E, CHROMOSOMAL
N: HEMOLYSIN E, CHROMOSOMAL
O: HEMOLYSIN E, CHROMOSOMAL
P: HEMOLYSIN E, CHROMOSOMAL
Q: HEMOLYSIN E, CHROMOSOMAL
R: HEMOLYSIN E, CHROMOSOMAL
S: HEMOLYSIN E, CHROMOSOMAL
T: HEMOLYSIN E, CHROMOSOMAL
U: HEMOLYSIN E, CHROMOSOMAL
V: HEMOLYSIN E, CHROMOSOMAL
W: HEMOLYSIN E, CHROMOSOMAL
X: HEMOLYSIN E, CHROMOSOMAL
ヘテロ分子


分子量 (理論値)分子数
合計 (水以外)421,00336
ポリマ－415,49212
非ポリマー5,51224
水0
タイプ名称対称操作数
identity operation1_555x,y,z1
Buried area64460 Å2
ΔGint-220.78 kcal/mol
Surface area148080 Å2
手法PISA
単位格子
Length a, b, c (Å)111.430, 114.410, 270.550
Angle α, β, γ (deg.)94.44, 85.92, 102.55
Int Tables number1
Space group name H-MP1
非結晶学的対称性 (NCS)NCSドメイン:
IDEns-ID
11
21
31
41
51
61
71
81
91
101
111
121
131
141
151
161
171
181
191
201
211
221
231
241
12
22
32
42
52
62
72
82
92
102
112
122
132
142
152
162
172
182
192
202
212
222
232
242
13
23
33
43
53
63
73
83
93
103
113
123
133
143
153
163
173
183
193
203
213
223
233
243
14
24
34
44
54
64
74
84
94
104
114
124
134
144
154
164
174
184
194
204
214
224
234
244
15
25
35
45
55
65
75
85
95
105
115
125
135
145
155
165
175
185
195
205
215
225
235
245
16
26
36
46
56
66
76
86
96
106
116
126
136
146
156
166
176
186
196
206
216
226
236
246

NCSドメイン領域:
Dom-IDComponent-IDEns-IDSelection details
111CHAIN A AND (RESID 8:28 )
211CHAIN B AND (RESID 8:28 )
311CHAIN C AND (RESID 8:28 )
411CHAIN D AND (RESID 8:28 )
511CHAIN E AND (RESID 8:28 )
611CHAIN F AND (RESID 8:28 )
711CHAIN G AND (RESID 8:28 )
811CHAIN H AND (RESID 8:28 )
911CHAIN I AND (RESID 8:28 )
1011CHAIN J AND (RESID 8:28 )
1111CHAIN K AND (RESID 8:28 )
1211CHAIN L AND (RESID 8:28 )
1311CHAIN M AND (RESID 8:28 )
1411CHAIN N AND (RESID 8:28 )
1511CHAIN O AND (RESID 8:28 )
1611CHAIN P AND (RESID 8:28 )
1711CHAIN Q AND (RESID 8:28 )
1811CHAIN R AND (RESID 8:28 )
1911CHAIN S AND (RESID 8:28 )
2011CHAIN T AND (RESID 8:28 )
2111CHAIN U AND (RESID 8:28 )
2211CHAIN V AND (RESID 8:28 )
2311CHAIN W AND (RESID 8:28 )
2411CHAIN X AND (RESID 8:28 )
112CHAIN A AND (RESID 29:41 OR RESID 170: 206 )
212CHAIN B AND (RESID 29:41 OR RESID 170: 206 )
312CHAIN C AND (RESID 29:41 OR RESID 170: 206 )
412CHAIN D AND (RESID 29:41 OR RESID 170: 206 )
512CHAIN E AND (RESID 29:41 OR RESID 170: 206 )
612CHAIN F AND (RESID 29:41 OR RESID 170: 206 )
712CHAIN G AND (RESID 29:41 OR RESID 170: 206 )
812CHAIN H AND (RESID 29:41 OR RESID 170: 206 )
912CHAIN I AND (RESID 29:41 OR RESID 170: 206 )
1012CHAIN J AND (RESID 29:41 OR RESID 170: 206 )
1112CHAIN K AND (RESID 29:41 OR RESID 170: 206 )
1212CHAIN L AND (RESID 29:41 OR RESID 170: 206 )
1312CHAIN M AND (RESID 29:41 OR RESID 170: 206 )
1412CHAIN N AND (RESID 29:41 OR RESID 170: 206 )
1512CHAIN O AND (RESID 29:41 OR RESID 170: 206 )
1612CHAIN P AND (RESID 29:41 OR RESID 170: 206 )
1712CHAIN Q AND (RESID 29:41 OR RESID 170: 206 )
1812CHAIN R AND (RESID 29:41 OR RESID 170: 206 )
1912CHAIN S AND (RESID 29:41 OR RESID 170: 206 )
2012CHAIN T AND (RESID 29:41 OR RESID 170: 206 )
2112CHAIN U AND (RESID 29:41 OR RESID 170: 206 )
2212CHAIN V AND (RESID 29:41 OR RESID 170: 206 )
2312CHAIN W AND (RESID 29:41 OR RESID 170: 206 )
2412CHAIN X AND (RESID 29:41 OR RESID 170: 206 )
113CHAIN A AND (RESID 42:60 OR RESID 153: 169 OR RESID 207:222 )
213CHAIN B AND (RESID 42:60 OR RESID 153: 169 OR RESID 207:222 )
313CHAIN C AND (RESID 42:60 OR RESID 153: 169 OR RESID 207:222 )
413CHAIN D AND (RESID 42:60 OR RESID 153: 169 OR RESID 207:222 )
513CHAIN E AND (RESID 42:60 OR RESID 153: 169 OR RESID 207:222 )
613CHAIN F AND (RESID 42:60 OR RESID 153: 169 OR RESID 207:222 )
713CHAIN G AND (RESID 42:60 OR RESID 153: 169 OR RESID 207:222 )
813CHAIN H AND (RESID 42:60 OR RESID 153: 169 OR RESID 207:222 )
913CHAIN I AND (RESID 42:60 OR RESID 153: 169 OR RESID 207:222 )
1013CHAIN J AND (RESID 42:60 OR RESID 153: 169 OR RESID 207:222 )
1113CHAIN K AND (RESID 42:60 OR RESID 153: 169 OR RESID 207:222 )
1213CHAIN L AND (RESID 42:60 OR RESID 153: 169 OR RESID 207:222 )
1313CHAIN M AND (RESID 42:60 OR RESID 153: 169 OR RESID 207:222 )
1413CHAIN N AND (RESID 42:60 OR RESID 153: 169 OR RESID 207:222 )
1513CHAIN O AND (RESID 42:60 OR RESID 153: 169 OR RESID 207:222 )
1613CHAIN P AND (RESID 42:60 OR RESID 153: 169 OR RESID 207:222 )
1713CHAIN Q AND (RESID 42:60 OR RESID 153: 169 OR RESID 207:222 )
1813CHAIN R AND (RESID 42:60 OR RESID 153: 169 OR RESID 207:222 )
1913CHAIN S AND (RESID 42:60 OR RESID 153: 169 OR RESID 207:222 )
2013CHAIN T AND (RESID 42:60 OR RESID 153: 169 OR RESID 207:222 )
2113CHAIN U AND (RESID 42:60 OR RESID 153: 169 OR RESID 207:222 )
2213CHAIN V AND (RESID 42:60 OR RESID 153: 169 OR RESID 207:222 )
2313CHAIN W AND (RESID 42:60 OR RESID 153: 169 OR RESID 207:222 )
2413CHAIN X AND (RESID 42:60 OR RESID 153: 169 OR RESID 207:222 )
114CHAIN A AND (RESID 61:75 OR RESID 135: 152 OR RESID 223:240 )
214CHAIN B AND (RESID 61:75 OR RESID 135: 152 OR RESID 223:240 )
314CHAIN C AND (RESID 61:75 OR RESID 135: 152 OR RESID 223:240 )
414CHAIN D AND (RESID 61:75 OR RESID 135: 152 OR RESID 223:240 )
514CHAIN E AND (RESID 61:75 OR RESID 135: 152 OR RESID 223:240 )
614CHAIN F AND (RESID 61:75 OR RESID 135: 152 OR RESID 223:240 )
714CHAIN G AND (RESID 61:75 OR RESID 135: 152 OR RESID 223:240 )
814CHAIN H AND (RESID 61:75 OR RESID 135: 152 OR RESID 223:240 )
914CHAIN I AND (RESID 61:75 OR RESID 135: 152 OR RESID 223:240 )
1014CHAIN J AND (RESID 61:75 OR RESID 135: 152 OR RESID 223:240 )
1114CHAIN K AND (RESID 61:75 OR RESID 135: 152 OR RESID 223:240 )
1214CHAIN L AND (RESID 61:75 OR RESID 135: 152 OR RESID 223:240 )
1314CHAIN M AND (RESID 61:75 OR RESID 135: 152 OR RESID 223:240 )
1414CHAIN N AND (RESID 61:75 OR RESID 135: 152 OR RESID 223:240 )
1514CHAIN O AND (RESID 61:75 OR RESID 135: 152 OR RESID 223:240 )
1614CHAIN P AND (RESID 61:75 OR RESID 135: 152 OR RESID 223:240 )
1714CHAIN Q AND (RESID 61:75 OR RESID 135: 152 OR RESID 223:240 )
1814CHAIN R AND (RESID 61:75 OR RESID 135: 152 OR RESID 223:240 )
1914CHAIN S AND (RESID 61:75 OR RESID 135: 152 OR RESID 223:240 )
2014CHAIN T AND (RESID 61:75 OR RESID 135: 152 OR RESID 223:240 )
2114CHAIN U AND (RESID 61:75 OR RESID 135: 152 OR RESID 223:240 )
2214CHAIN V AND (RESID 61:75 OR RESID 135: 152 OR RESID 223:240 )
2314CHAIN W AND (RESID 61:75 OR RESID 135: 152 OR RESID 223:240 )
2414CHAIN X AND (RESID 61:75 OR RESID 135: 152 OR RESID 223:240 )
115CHAIN A AND (RESID 76:90 OR RESID 122: 134 OR RESID 241:258 OR RESID 284:289 OR RESID 304:305 )
215CHAIN B AND (RESID 76:90 OR RESID 122: 134 OR RESID 241:258 OR RESID 284:289 OR RESID 304:305 )
315CHAIN C AND (RESID 76:90 OR RESID 122: 134 OR RESID 241:258 OR RESID 284:289 OR RESID 304:305 )
415CHAIN D AND (RESID 76:90 OR RESID 122: 134 OR RESID 241:258 OR RESID 284:289 OR RESID 304:305 )
515CHAIN E AND (RESID 76:90 OR RESID 122: 134 OR RESID 241:258 OR RESID 284:289 OR RESID 304:305 )
615CHAIN F AND (RESID 76:90 OR RESID 122: 134 OR RESID 241:258 OR RESID 284:289 OR RESID 304:305 )
715CHAIN G AND (RESID 76:90 OR RESID 122: 134 OR RESID 241:258 OR RESID 284:289 OR RESID 304:305 )
815CHAIN H AND (RESID 76:90 OR RESID 122: 134 OR RESID 241:258 OR RESID 284:289 OR RESID 304:305 )
915CHAIN I AND (RESID 76:90 OR RESID 122: 134 OR RESID 241:258 OR RESID 284:289 OR RESID 304:305 )
1015CHAIN J AND (RESID 76:90 OR RESID 122: 134 OR RESID 241:258 OR RESID 284:289 OR RESID 304:305 )
1115CHAIN K AND (RESID 76:90 OR RESID 122: 134 OR RESID 241:258 OR RESID 284:289 OR RESID 304:305 )
1215CHAIN L AND (RESID 76:90 OR RESID 122: 134 OR RESID 241:258 OR RESID 284:289 OR RESID 304:305 )
1315CHAIN M AND (RESID 76:90 OR RESID 122: 134 OR RESID 241:258 OR RESID 284:289 OR RESID 304:305 )
1415CHAIN N AND (RESID 76:90 OR RESID 122: 134 OR RESID 241:258 OR RESID 284:289 OR RESID 304:305 )
1515CHAIN O AND (RESID 76:90 OR RESID 122: 134 OR RESID 241:258 OR RESID 284:289 OR RESID 304:305 )
1615CHAIN P AND (RESID 76:90 OR RESID 122: 134 OR RESID 241:258 OR RESID 284:289 OR RESID 304:305 )
1715CHAIN Q AND (RESID 76:90 OR RESID 122: 134 OR RESID 241:258 OR RESID 284:289 OR RESID 304:305 )
1815CHAIN R AND (RESID 76:90 OR RESID 122: 134 OR RESID 241:258 OR RESID 284:289 OR RESID 304:305 )
1915CHAIN S AND (RESID 76:90 OR RESID 122: 134 OR RESID 241:258 OR RESID 284:289 OR RESID 304:305 )
2015CHAIN T AND (RESID 76:90 OR RESID 122: 134 OR RESID 241:258 OR RESID 284:289 OR RESID 304:305 )
2115CHAIN U AND (RESID 76:90 OR RESID 122: 134 OR RESID 241:258 OR RESID 284:289 OR RESID 304:305 )
2215CHAIN V AND (RESID 76:90 OR RESID 122: 134 OR RESID 241:258 OR RESID 284:289 OR RESID 304:305 )
2315CHAIN W AND (RESID 76:90 OR RESID 122: 134 OR RESID 241:258 OR RESID 284:289 OR RESID 304:305 )
2415CHAIN X AND (RESID 76:90 OR RESID 122: 134 OR RESID 241:258 OR RESID 284:289 OR RESID 304:305 )
116CHAIN A AND (RESID 91:121 OR RESID 259:283 )
216CHAIN B AND (RESID 91:121 OR RESID 259:283 )
316CHAIN C AND (RESID 91:121 OR RESID 259:283 )
416CHAIN D AND (RESID 91:121 OR RESID 259:283 )
516CHAIN E AND (RESID 91:121 OR RESID 259:283 )
616CHAIN F AND (RESID 91:121 OR RESID 259:283 )
716CHAIN G AND (RESID 91:121 OR RESID 259:283 )
816CHAIN H AND (RESID 91:121 OR RESID 259:283 )
916CHAIN I AND (RESID 91:121 OR RESID 259:283 )
1016CHAIN J AND (RESID 91:121 OR RESID 259:283 )
1116CHAIN K AND (RESID 91:121 OR RESID 259:283 )
1216CHAIN L AND (RESID 91:121 OR RESID 259:283 )
1316CHAIN M AND (RESID 91:121 OR RESID 259:283 )
1416CHAIN N AND (RESID 91:121 OR RESID 259:283 )
1516CHAIN O AND (RESID 91:121 OR RESID 259:283 )
1616CHAIN P AND (RESID 91:121 OR RESID 259:283 )
1716CHAIN Q AND (RESID 91:121 OR RESID 259:283 )
1816CHAIN R AND (RESID 91:121 OR RESID 259:283 )
1916CHAIN S AND (RESID 91:121 OR RESID 259:283 )
2016CHAIN T AND (RESID 91:121 OR RESID 259:283 )
2116CHAIN U AND (RESID 91:121 OR RESID 259:283 )
2216CHAIN V AND (RESID 91:121 OR RESID 259:283 )
2316CHAIN W AND (RESID 91:121 OR RESID 259:283 )
2416CHAIN X AND (RESID 91:121 OR RESID 259:283 )

NCSアンサンブル:
ID
1
2
3
4
5
6

NCS oper:
IDCodeMatrixベクター
1given(-0.817755, -0.151962, -0.555144), (-0.145613, -0.878518, 0.454977), (-0.556843, 0.452896, 0.696284)20.45789, 27.10781, -0.4528
2given(-0.375075, 0.67754, -0.63266), (-0.903237, -0.420638, 0.085011), (-0.208523, 0.603328, 0.769749)26.80244, 12.88288, 5.36789
3given(-0.698968, -0.594565, -0.397411), (0.315969, -0.755268, 0.574225), (-0.641566, 0.275795, 0.715772)12.86597, 29.47523, -3.60355
4given(0.076504, 0.845249, -0.528868), (-0.996413, 0.045566, -0.071312), (-0.036178, 0.532427, 0.845703)23.65383, 4.71345, 6.48266
5given(-0.698949, 0.316888, -0.641134), (-0.595014, -0.755025, 0.275491), (-0.396772, 0.574038, 0.716276)25.55439, 20.8721, 2.81322
6given(0.548601, 0.759442, -0.349693), (-0.83269, 0.53394, -0.146752), (0.075266, 0.371694, 0.925299)16.17694, -1.04579, 5.45913
7given(0.881336, 0.445548, -0.157271), (-0.464606, 0.877766, -0.116911), (0.085958, 0.176106, 0.980611)7.65005, -2.69991, 3.13852
8given(0.884221, -0.459055, 0.086146), (0.440385, 0.880851, 0.173673), (-0.155608, -0.115628, 0.981028)-5.06455, 5.92039, -3.24503
9given(0.55435, -0.828818, 0.075872), (0.75618, 0.539647, 0.370098), (-0.347688, -0.147791, 0.925889)-6.09236, 14.20382, -5.74901
10given(0.09952, -0.994633, -0.028288), (0.847753, 0.069871, 0.525768), (-0.52097, -0.076306, 0.850157)-2.7793, 22.36233, -6.84497
11given(-0.364783, -0.908909, -0.202036), (0.685856, -0.409054, 0.601894), (-0.62971, 0.080993, 0.772596)4.40941, 28.01466, -6.06222
12given(0.555082, -0.521873, 0.647713), (-0.519848, -0.825538, -0.219647), (0.64934, -0.21479, -0.729536)104.04309, -45.26442, -285.43329
13given(0.785999, -0.089644, 0.611694), (-0.088286, -0.995566, -0.032457), (0.611892, -0.028493, -0.790428)95.97282, -47.27216, -287.74048
14given(0.787385, 0.378603, 0.486502), (0.378291, -0.91987, 0.103607), (0.486745, 0.102461, -0.867514)89.49883, -52.7585, -288.45761
15given(0.554364, 0.775958, 0.300948), (0.775453, -0.612882, 0.151815), (0.302248, 0.14921, -0.941479)86.27068, -61.03334, -287.18756
16given(0.143844, 0.983414, 0.110482), (0.983266, -0.154641, 0.096299), (0.111787, 0.094781, -0.989202)87.561, -69.47691, -284.47153
17given(-0.326356, 0.944622, -0.034377), (0.944738, 0.324771, -0.04466), (-0.031022, -0.047052, -0.998411)92.82442, -75.73962, -281.0029
18given(-0.733205, 0.673281, -0.095406), (0.67393, 0.70075, -0.234025), (-0.090709, -0.235886, -0.967538)100.58659, -78.15716, -277.75916
19given(-0.969467, 0.239068, -0.05459), (0.239232, 0.87315, -0.424708), (-0.053869, -0.4248, -0.903683)108.81294, -76.19955, -275.65903
20given(-0.970852, -0.22948, 0.069172), (-0.228432, 0.798558, -0.556888), (0.072556, -0.556457, -0.827702)115.42549, -70.73463, -274.92667
21given(-0.7341, -0.629326, 0.255042), (-0.628554, 0.48765, -0.605903), (0.256939, -0.605101, -0.753549)118.44421, -62.35593, -276.24155
22given(0.328343, -0.833206, 0.444926), (-0.832976, 0.033326, -0.552305), (0.445356, -0.551958, -0.704983)117.36337, -54.14331, -278.87347
23given(0.136407, -0.798646, 0.586138), (-0.798006, -0.439175, -0.412688), (0.587009, -0.411448, -0.697231)112.40974, -47.68638, -282.13495

-
要素

#1: タンパク質 ...
HEMOLYSIN E, CHROMOSOMAL / HEMOLYSIS-INDUCING PROTEIN / SILENT HEMOLYSIN SHEA / CYTOTOXIN CLYA / LATENT PORE-FORMING 34 KDA ...HEMOLYSIS-INDUCING PROTEIN / SILENT HEMOLYSIN SHEA / CYTOTOXIN CLYA / LATENT PORE-FORMING 34 KDA HEMOLYSIN / CYTOLYSIN A


分子量: 34624.293 Da / 分子数: 24 / 断片: RESIDUES 2-303 / 由来タイプ: 組換発現 / 由来: (組換発現) ESCHERICHIA COLI (大腸菌) / 株: K12 / 発現宿主: ESCHERICHIA COLI (大腸菌) / 株 (発現宿主): TUNER (DE3) / 参照: UniProt: P77335
#2: 化合物...
ChemComp-EMC / ETHYL MERCURY ION


分子量: 229.651 Da / 分子数: 48 / 由来タイプ: 合成 / 式: C2H5Hg
配列の詳細WILD TYPE PROTEIN WITHOUT N-TERMINAL HIS-TAG

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実験情報

-
実験

実験手法: X線回折 / 使用した結晶の数: 1

-
試料調製

結晶マシュー密度: 4.05 Å3/Da / 溶媒含有率: 69.7 %
解説: SAD PHASING WAS ACHIEVED WITH DATA FROM OTHER CRYSTAL FORM
結晶化詳細: 100 MM TRIS-HCL (PH 8.4), 100-160 MM MGCL2, 12-17% PEG400

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データ収集

回折平均測定温度: 100 K
放射光源由来: シンクロトロン / サイト: SLS / ビームライン: X06SA / 波長: 1.0138
検出器タイプ: DECTRIS PILATUS 6M / 検出器: PIXEL
放射モノクロメーター: LN2 COOLED FIXED-EXIT SI(111) MONOCHROMATOR
プロトコル: SINGLE WAVELENGTH / 単色(M)・ラウエ(L): M / 散乱光タイプ: x-ray
放射波長波長: 1.0138 Å / 相対比: 1
反射解像度: 3.29→49.36 Å / Num. obs: 186840 / % possible obs: 94.6 % / Observed criterion σ(I): -3 / 冗長度: 3.4 % / Biso Wilson estimate: 98.09 Å2 / Rmerge(I) obs: 0.07 / Net I/σ(I): 9.9
反射 シェル解像度: 3.29→3.47 Å / 冗長度: 3.4 % / Rmerge(I) obs: 0.45 / Mean I/σ(I) obs: 2.2 / % possible all: 91.2

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解析

ソフトウェア
名称分類
XDSデータ削減
SCALAデータスケーリング
SHELXD位相決定
SHARP位相決定
PHENIX精密化
精密化構造決定の手法: 単波長異常分散
開始モデル: NONE

解像度: 3.29→49.37 Å / SU ML: 0.98 / σ(F): 0.98 / 位相誤差: 27.65 / 立体化学のターゲット値: ML
Rfactor反射数%反射
Rfree0.244 7005 2 %
Rwork0.228 --
obs0.228 347936 88.1 %
溶媒の処理減衰半径: 0.9 Å / VDWプローブ半径: 1.11 Å / 溶媒モデル: FLAT BULK SOLVENT MODEL / Bsol: 74.69 Å2 / ksol: 0.24 e/Å3
原子変位パラメータ
Baniso -1Baniso -2Baniso -3
1-6.7282 Å28.8864 Å216.7039 Å2
2--16.5753 Å2-12.4453 Å2
3----46.6251 Å2
精密化ステップサイクル: LAST / 解像度: 3.29→49.37 Å
タンパク質核酸リガンド溶媒全体
原子数53688 0 144 0 53832
拘束条件
Refine-IDタイプDev ideal数
X-RAY DIFFRACTIONf_bond_d0.00654576
X-RAY DIFFRACTIONf_angle_d0.87973584
X-RAY DIFFRACTIONf_dihedral_angle_d16.86819824
X-RAY DIFFRACTIONf_chiral_restr0.0528640
X-RAY DIFFRACTIONf_plane_restr0.0029264
Refine LS restraints NCS
Ens-IDDom-IDAuth asym-ID数Refine-IDタイプRms dev position (Å)
11A158X-RAY DIFFRACTIONPOSITIONAL
12B158X-RAY DIFFRACTIONPOSITIONAL0.026
13C158X-RAY DIFFRACTIONPOSITIONAL0.02
14D158X-RAY DIFFRACTIONPOSITIONAL0.023
15E158X-RAY DIFFRACTIONPOSITIONAL0.024
16F158X-RAY DIFFRACTIONPOSITIONAL0.02
17G158X-RAY DIFFRACTIONPOSITIONAL0.018
18H158X-RAY DIFFRACTIONPOSITIONAL0.016
19I158X-RAY DIFFRACTIONPOSITIONAL0.025
110J158X-RAY DIFFRACTIONPOSITIONAL0.022
111K158X-RAY DIFFRACTIONPOSITIONAL0.024
112L158X-RAY DIFFRACTIONPOSITIONAL0.018
113M158X-RAY DIFFRACTIONPOSITIONAL0.023
114N158X-RAY DIFFRACTIONPOSITIONAL0.024
115O158X-RAY DIFFRACTIONPOSITIONAL0.023
116P158X-RAY DIFFRACTIONPOSITIONAL0.018
117Q158X-RAY DIFFRACTIONPOSITIONAL0.022
118R158X-RAY DIFFRACTIONPOSITIONAL0.019
119S158X-RAY DIFFRACTIONPOSITIONAL0.02
120T158X-RAY DIFFRACTIONPOSITIONAL0.019
121U158X-RAY DIFFRACTIONPOSITIONAL0.025
122V158X-RAY DIFFRACTIONPOSITIONAL0.022
123W158X-RAY DIFFRACTIONPOSITIONAL0.017
124X158X-RAY DIFFRACTIONPOSITIONAL0.022
21A374X-RAY DIFFRACTIONPOSITIONAL
22B374X-RAY DIFFRACTIONPOSITIONAL0.018
23C374X-RAY DIFFRACTIONPOSITIONAL0.019
24D374X-RAY DIFFRACTIONPOSITIONAL0.018
25E374X-RAY DIFFRACTIONPOSITIONAL0.023
26F374X-RAY DIFFRACTIONPOSITIONAL0.021
27G374X-RAY DIFFRACTIONPOSITIONAL0.027
28H374X-RAY DIFFRACTIONPOSITIONAL0.022
29I374X-RAY DIFFRACTIONPOSITIONAL0.024
210J374X-RAY DIFFRACTIONPOSITIONAL0.022
211K374X-RAY DIFFRACTIONPOSITIONAL0.023
212L374X-RAY DIFFRACTIONPOSITIONAL0.019
213M374X-RAY DIFFRACTIONPOSITIONAL0.022
214N374X-RAY DIFFRACTIONPOSITIONAL0.021
215O374X-RAY DIFFRACTIONPOSITIONAL0.023
216P374X-RAY DIFFRACTIONPOSITIONAL0.023
217Q374X-RAY DIFFRACTIONPOSITIONAL0.027
218R374X-RAY DIFFRACTIONPOSITIONAL0.025
219S374X-RAY DIFFRACTIONPOSITIONAL0.024
220T374X-RAY DIFFRACTIONPOSITIONAL0.024
221U374X-RAY DIFFRACTIONPOSITIONAL0.023
222V374X-RAY DIFFRACTIONPOSITIONAL0.027
223W374X-RAY DIFFRACTIONPOSITIONAL0.021
224X374X-RAY DIFFRACTIONPOSITIONAL0.025
31A430X-RAY DIFFRACTIONPOSITIONAL
32B430X-RAY DIFFRACTIONPOSITIONAL0.022
33C430X-RAY DIFFRACTIONPOSITIONAL0.022
34D430X-RAY DIFFRACTIONPOSITIONAL0.021
35E430X-RAY DIFFRACTIONPOSITIONAL0.025
36F430X-RAY DIFFRACTIONPOSITIONAL0.025
37G430X-RAY DIFFRACTIONPOSITIONAL0.019
38H430X-RAY DIFFRACTIONPOSITIONAL0.024
39I430X-RAY DIFFRACTIONPOSITIONAL0.026
310J430X-RAY DIFFRACTIONPOSITIONAL0.023
311K430X-RAY DIFFRACTIONPOSITIONAL0.022
312L430X-RAY DIFFRACTIONPOSITIONAL0.02
313M430X-RAY DIFFRACTIONPOSITIONAL0.021
314N430X-RAY DIFFRACTIONPOSITIONAL0.022
315O430X-RAY DIFFRACTIONPOSITIONAL0.02
316P430X-RAY DIFFRACTIONPOSITIONAL0.022
317Q430X-RAY DIFFRACTIONPOSITIONAL0.021
318R430X-RAY DIFFRACTIONPOSITIONAL0.025
319S430X-RAY DIFFRACTIONPOSITIONAL0.023
320T430X-RAY DIFFRACTIONPOSITIONAL0.024
321U430X-RAY DIFFRACTIONPOSITIONAL0.022
322V430X-RAY DIFFRACTIONPOSITIONAL0.02
323W430X-RAY DIFFRACTIONPOSITIONAL0.019
324X430X-RAY DIFFRACTIONPOSITIONAL0.024
41A378X-RAY DIFFRACTIONPOSITIONAL
42B378X-RAY DIFFRACTIONPOSITIONAL0.024
43C378X-RAY DIFFRACTIONPOSITIONAL0.026
44D378X-RAY DIFFRACTIONPOSITIONAL0.026
45E378X-RAY DIFFRACTIONPOSITIONAL0.027
46F378X-RAY DIFFRACTIONPOSITIONAL0.025
47G378X-RAY DIFFRACTIONPOSITIONAL0.024
48H378X-RAY DIFFRACTIONPOSITIONAL0.028
49I378X-RAY DIFFRACTIONPOSITIONAL0.028
410J378X-RAY DIFFRACTIONPOSITIONAL0.028
411K378X-RAY DIFFRACTIONPOSITIONAL0.026
412L378X-RAY DIFFRACTIONPOSITIONAL0.027
413M378X-RAY DIFFRACTIONPOSITIONAL0.027
414N378X-RAY DIFFRACTIONPOSITIONAL0.029
415O378X-RAY DIFFRACTIONPOSITIONAL0.026
416P378X-RAY DIFFRACTIONPOSITIONAL0.026
417Q378X-RAY DIFFRACTIONPOSITIONAL0.028
418R378X-RAY DIFFRACTIONPOSITIONAL0.028
419S378X-RAY DIFFRACTIONPOSITIONAL0.028
420T378X-RAY DIFFRACTIONPOSITIONAL0.025
421U378X-RAY DIFFRACTIONPOSITIONAL0.029
422V378X-RAY DIFFRACTIONPOSITIONAL0.027
423W378X-RAY DIFFRACTIONPOSITIONAL0.025
424X378X-RAY DIFFRACTIONPOSITIONAL0.028
51A415X-RAY DIFFRACTIONPOSITIONAL
52B415X-RAY DIFFRACTIONPOSITIONAL0.027
53C415X-RAY DIFFRACTIONPOSITIONAL0.03
54D415X-RAY DIFFRACTIONPOSITIONAL0.04
55E415X-RAY DIFFRACTIONPOSITIONAL0.033
56F415X-RAY DIFFRACTIONPOSITIONAL0.028
57G415X-RAY DIFFRACTIONPOSITIONAL0.026
58H415X-RAY DIFFRACTIONPOSITIONAL0.027
59I415X-RAY DIFFRACTIONPOSITIONAL0.03
510J415X-RAY DIFFRACTIONPOSITIONAL0.033
511K415X-RAY DIFFRACTIONPOSITIONAL0.03
512L415X-RAY DIFFRACTIONPOSITIONAL0.026
513M415X-RAY DIFFRACTIONPOSITIONAL0.027
514N415X-RAY DIFFRACTIONPOSITIONAL0.029
515O415X-RAY DIFFRACTIONPOSITIONAL0.028
516P415X-RAY DIFFRACTIONPOSITIONAL0.027
517Q415X-RAY DIFFRACTIONPOSITIONAL0.03
518R415X-RAY DIFFRACTIONPOSITIONAL0.027
519S415X-RAY DIFFRACTIONPOSITIONAL0.029
520T415X-RAY DIFFRACTIONPOSITIONAL0.03
521U415X-RAY DIFFRACTIONPOSITIONAL0.029
522V415X-RAY DIFFRACTIONPOSITIONAL0.029
523W415X-RAY DIFFRACTIONPOSITIONAL0.036
524X415X-RAY DIFFRACTIONPOSITIONAL0.033
61A458X-RAY DIFFRACTIONPOSITIONAL
62B458X-RAY DIFFRACTIONPOSITIONAL0.03
63C458X-RAY DIFFRACTIONPOSITIONAL0.032
64D458X-RAY DIFFRACTIONPOSITIONAL0.036
65E458X-RAY DIFFRACTIONPOSITIONAL0.032
66F458X-RAY DIFFRACTIONPOSITIONAL0.03
67G458X-RAY DIFFRACTIONPOSITIONAL0.027
68H458X-RAY DIFFRACTIONPOSITIONAL0.029
69I458X-RAY DIFFRACTIONPOSITIONAL0.03
610J458X-RAY DIFFRACTIONPOSITIONAL0.031
611K458X-RAY DIFFRACTIONPOSITIONAL0.03
612L458X-RAY DIFFRACTIONPOSITIONAL0.029
613M458X-RAY DIFFRACTIONPOSITIONAL0.033
614N458X-RAY DIFFRACTIONPOSITIONAL0.031
615O458X-RAY DIFFRACTIONPOSITIONAL0.031
616P458X-RAY DIFFRACTIONPOSITIONAL0.029
617Q458X-RAY DIFFRACTIONPOSITIONAL0.03
618R458X-RAY DIFFRACTIONPOSITIONAL0.03
619S458X-RAY DIFFRACTIONPOSITIONAL0.031
620T458X-RAY DIFFRACTIONPOSITIONAL0.03
621U458X-RAY DIFFRACTIONPOSITIONAL0.03
622V458X-RAY DIFFRACTIONPOSITIONAL0.029
623W458X-RAY DIFFRACTIONPOSITIONAL0.031
624X458X-RAY DIFFRACTIONPOSITIONAL0.03
LS精密化 シェル
解像度 (Å)Rfactor RfreeNum. reflection RfreeRfactor RworkNum. reflection RworkRefine-ID% reflection obs (%)
3.2882-3.32550.41171450.38987883X-RAY DIFFRACTION62
3.3255-3.36470.39072070.355912202X-RAY DIFFRACTION92
3.3647-3.40570.38632870.350411684X-RAY DIFFRACTION93
3.4057-3.44880.36973110.335212019X-RAY DIFFRACTION92
3.4488-3.49410.35082360.3311833X-RAY DIFFRACTION93
3.4941-3.5420.35212390.310911859X-RAY DIFFRACTION92
3.542-3.59260.30882520.2912020X-RAY DIFFRACTION92
3.5926-3.64620.30542140.282611602X-RAY DIFFRACTION91
3.6462-3.70310.32722420.275311699X-RAY DIFFRACTION89
3.7031-3.76380.25062580.25411559X-RAY DIFFRACTION91
3.7638-3.82870.25672710.231712374X-RAY DIFFRACTION94
3.8287-3.89830.24732220.202311862X-RAY DIFFRACTION94
3.8983-3.97330.22822220.20412305X-RAY DIFFRACTION94
3.9733-4.05430.21542280.183211929X-RAY DIFFRACTION93
4.0543-4.14240.1752440.168912012X-RAY DIFFRACTION93
4.1424-4.23870.15962440.15611919X-RAY DIFFRACTION92
4.2387-4.34470.17332680.159611581X-RAY DIFFRACTION91
4.3447-4.46210.19642490.161211809X-RAY DIFFRACTION90
4.4621-4.59330.16552380.160611342X-RAY DIFFRACTION89
4.5933-4.74140.19132130.164311548X-RAY DIFFRACTION89
4.7414-4.91080.15842320.159111624X-RAY DIFFRACTION90
4.9108-5.10720.17462100.169211554X-RAY DIFFRACTION89
5.1072-5.33940.19262060.178411569X-RAY DIFFRACTION90
5.3394-5.62050.2232420.189211581X-RAY DIFFRACTION89
5.6205-5.97210.23132340.212911332X-RAY DIFFRACTION88
5.9721-6.43230.22852210.211211104X-RAY DIFFRACTION86
6.4323-7.07790.22762530.214110680X-RAY DIFFRACTION83
7.0779-8.09820.22982200.196910077X-RAY DIFFRACTION78
8.0982-10.18810.14422030.15879497X-RAY DIFFRACTION74
10.1881-49.37020.31161940.32528872X-RAY DIFFRACTION69
精密化 TLS

手法: refined / Refine-ID: X-RAY DIFFRACTION

IDL11 (°2)L12 (°2)L13 (°2)L22 (°2)L23 (°2)L33 (°2)S11 (Å °)S12 (Å °)S13 (Å °)S21 (Å °)S22 (Å °)S23 (Å °)S31 (Å °)S32 (Å °)S33 (Å °)T11 (Å2)T12 (Å2)T13 (Å2)T22 (Å2)T23 (Å2)T33 (Å2)Origin x (Å)Origin y (Å)Origin z (Å)
13.10791.18620.07090.64320.22784.36750.0953-0.6578-0.21690.3832-0.79620.4587-1.0841-0.7123-0.27321.3274-0.01260.36451.5659-0.06770.9301-3.76374.2554-34.9874
20.3815-0.4723-0.80940.75190.12565.1094-0.0052-0.12290.5480.64050.76580.35270.83110.3950.40591.28740.11750.40331.4222-0.05360.7452-8.2241-19.2893-45.6563
32.304-0.2971-1.35320.73850.42482.1482-0.1901-0.7855-0.4011-0.0651-0.3294-0.0536-0.4420.17090.65941.04950.0990.16841.644-0.00880.927-0.7874-25.5438-68.2593
40.0272-0.1070.06150.4218-0.21340.4319-0.1693-0.07960.11820.12350.249-0.00220.0182-0.3865-0.16770.569-0.2140.15610.71470.0750.8145.9664-29.8027-92.5404
50.08420.173-0.24070.34340.89464.8022-0.2550.1092-0.1417-0.4646-0.20930.2115-0.2453-1.31670.11410.3737-0.13930.02640.374-0.07570.5558.9556-34.9937-117.0606
60.84010.1647-0.42810.2437-0.37560.9745-0.2326-0.4788-0.8025-0.0404-0.1299-0.18751.15870.239-0.47840.0997-0.5716-0.1546-0.6736-0.0130.788715.0633-40.4897-135.5375
73.72310.3974-0.48560.2755-0.79654.627-0.5487-0.63040.05750.3473-0.4602-0.4022-0.9579-0.0267-0.29991.53550.15420.48121.735-0.46020.8987-0.451116.3743-37.1738
80.3472-0.1352-0.80490.65690.03155.4092-0.0503-0.30370.29260.75430.7808-0.24490.3702-0.49180.50931.18250.24790.39452.1215-0.31580.9186-13.1757-0.9648-52.204
91.5571-0.8486-1.03331.97881.23412.3768-0.4984-0.7077-0.3419-0.27420.2556-0.28540.46391.10250.86640.79420.1750.12111.549-0.13670.8786-5.7597-7.1611-74.8087
100.1222-0.16980.02140.275-0.26210.6726-0.1777-0.04560.22550.29570.2232-0.0814-0.14370.3036-0.33140.2931-0.04190.02060.5136-0.05170.75092.1258-11.1548-98.8131
111.16480.5079-2.55320.2609-0.56627.75010.1810.52490.48820.3218-0.11430.4081-1.1878-1.51930.87440.0987-0.1074-0.07750.3016-0.16330.57766.3456-14.1012-123.4805
120.49070.2970.38370.3948-0.34752.01390.04890.3906-0.6133-0.2755-0.160.16240.72450.2250.03530.1929-0.1915-0.1241-0.00850.05440.856112.014-19.5916-142.0528
133.0778-0.5315-1.38271.1834-1.67714.57730.3132-0.0719-0.88160.4157-0.97060.5531-1.04290.5788-0.33521.31490.38380.08371.7034-0.45381.08778.177825.6611-36.8744
140.76050.5169-0.87020.50790.05294.44480.0175-0.43970.06320.18560.4776-0.30721.1424-0.86680.34990.7580.42750.20591.7381-0.52220.7509-8.403818.2758-55.8282
150.569-0.2945-1.09831.7941.74423.1307-0.8103-0.1055-0.98170.52130.4861-0.01310.46961.17910.8890.89580.47280.24760.8892-0.09150.9633-1.062412.0979-78.4702
160.174-0.1973-0.02820.1390.03390.97960.1808-0.00940.3083-0.42790.0127-0.7378-0.8448-0.0397-0.40430.57640.2950.03880.5564-0.07660.70277.93067.8088-101.9756
170.5918-0.2647-1.01160.56430.82635.25090.61490.16620.7322-0.2551-0.1886-0.8167-2.086-0.9359-0.04580.49450.2861-0.0060.16980.0350.573214.15426.1255-126.3628
180.5836-0.3134-0.06330.11140.03080.55140.13840.2918-0.8421-0.2287-0.19970.27550.5909-0.29450.14390.4697-0.0444-0.0901-0.69760.17340.845719.64450.8328-145.0849
192.6885-0.4021-1.99042.4465-2.06053.80080.4718-1.9475-0.50370.71060.04750.5155-0.71741.2412-0.26971.91490.6465-0.03411.8894-0.61091.202419.842829.8059-34.1946
201.26440.2785-1.04270.0730.08013.232-0.6380.16540.05280.0280.4046-0.45341.9285-0.8872-0.23580.990.57090.13831.2088-0.46690.69154.981633.2254-55.4695
210.7039-0.0481-1.19911.13831.42113.4108-0.536-0.8212-0.13670.872-0.53280.91931.1110.75470.72351.25870.2180.21920.7578-0.1871.215212.248227.1608-78.1683
220.1181-0.25240.10160.49840.18660.82580.4993-0.37760.52580.177-0.1408-0.3633-0.2402-0.4087-0.38540.93810.29050.02580.2424-0.04560.903822.011921.9889-101.2222
230.1367-0.0698-0.17761.28110.72420.53280.5098-0.52181.14430.1645-0.22050.0338-2.01390.115-0.1560.99510.28820.1332-1.52740.11490.770830.601420.4074-124.8654
240.1409-0.19980.06840.3363-0.02680.0495-0.11910.38-0.5442-0.2534-0.14530.18050.4740.064-0.2530.89390.08350.0032-1.62130.20890.944636.070115.3305-143.6437
253.33810.4179-1.67533.2826-1.28981.2862-0.0106-2.1076-0.44050.0318-0.09750.7705-0.29751.0915-0.02382.20860.7647-0.11582.1593-0.49741.050331.482627.5942-29.7657
262.1112-0.6508-1.16450.18990.36242.2008-0.81640.5731-0.1440.0750.8874-1.06521.0259-0.3204-0.38991.71080.68040.17081.1358-0.56890.613823.365840.0769-51.2845
270.2078-0.1611-0.51531.10421.35822.0511-0.1163-1.2350.17690.3236-0.03110.53041.24230.3370.38671.42020.13720.23160.8496-0.33041.136130.686334.0583-74.0103
280.0947-0.1134-0.20550.8145-0.23230.4344-0.4472-0.55150.43060.38460.2229-0.4350.2019-0.0418-0.31041.17310.04840.06080.368-0.26061.058640.627327.8808-96.735
290.18880.0477-0.32650.65880.57850.94310.144-0.65970.91080.1745-0.0557-0.6781-0.93430.936-0.77910.8136-0.08960.0706-1.531-0.22660.762451.356625.3154-119.4221
300.261-0.30160.01680.5013-0.24150.27340.12660.3255-0.0735-0.6988-0.21010.5517-0.0566-0.31130.10430.72760.087-0.0371-0.54110.13990.945756.927520.4662-138.2855
313.78160.7504-0.16182.79120.50760.4780.2766-2.0059-0.29640.65160.05740.69340.39050.40910.32741.58090.1938-0.10531.8404-0.51571.294539.676919.4431-24.9096
321.2905-1.2491-1.08511.46551.09071.8046-0.20290.4690.27680.20121.0222-0.9557-0.0429-0.1804-0.54651.35550.2090.05971.0908-0.57580.739542.029636.8512-44.3495
330.22230.2850.22121.26661.30051.8718-0.9729-1.440.42890.17510.16090.63160.18710.0251-0.06261.98330.14040.18091.2163-0.55671.247149.409331.028-67.081
340.32740.3863-0.24850.5785-0.14750.2608-0.1861-0.91430.480.62830.63910.0104-0.07080.6507-0.15341.0149-0.0302-0.05010.3439-0.27270.914158.954523.6451-89.6168
351.6892-0.158-2.29450.42930.4893.07630.4104-1.00070.676-0.3440.2875-0.7443-0.53111.7913-0.25440.7494-0.20740.03070.3071-0.18980.792170.912619.0387-111.3667
360.2543-0.3718-0.25510.68070.3170.30170.29750.16230.6629-0.731-0.06570.0363-0.75850.18190.34020.6264-0.1844-0.1060.04760.02421.003576.631714.488-130.2076
373.86550.02140.26551.93751.54882.5494-0.9961-1.8133-0.26850.63870.49141.2780.2067-0.30680.5211.43490.430.0631.5325-0.26140.969342.39857.7254-20.7907
380.5493-0.6384-1.05581.48951.50082.91580.83761.3364-0.1487-0.01970.5071-0.8499-0.3819-0.007-0.50172.1433-0.07970.12831.5769-0.76170.80755.526624.1878-36.5456
390.3070.33080.37810.51180.89212.7472-0.5032-1.23450.35110.4043-0.43360.56940.3453-0.4388-0.49141.08410.1627-0.20551.3546-0.47671.06362.981218.4011-59.2975
400.55120.2135-0.18770.266-0.02980.1773-0.1499-0.92210.14960.04320.33860.0674-0.5216-0.21810.04150.8359-0.0045-0.2470.9307-0.35960.896171.634710.1823-81.8366
413.1553-0.1484-3.7605-0.00610.28384.45010.0182-1.09730.53210.40880.3519-0.6029-0.32181.1497-0.10850.47610.0232-0.16340.17-0.1530.496283.52823.1809-102.9603
420.8822-0.7719-1.38291.54472.16743.43110.42360.12970.9335-0.8358-0.3398-0.1832-1.2721-0.45540.12030.3564-0.2477-0.21160.15460.01690.945589.4923-1.2663-121.7741
432.959-1.34860.62742.18422.01363.6717-0.765-0.7527-0.20940.49420.35881.30380.1932-0.39390.45941.29560.3239-0.25561.933-0.31160.769239.0701-4.1852-18.7129
441.0065-0.4209-1.62851.29681.19543.32321.0203-0.16060.17040.4109-0.0826-0.7465-0.9791-0.025-0.37831.4680.0033-0.03751.8343-0.45110.532860.46695.9788-30.0452
450.84050.1716-0.55890.2635-0.36572.904-0.7961-0.21150.24220.0787-0.18830.1263-0.3993-0.6635-0.76850.94080.1787-0.20871.7703-0.50630.815667.920.0965-52.7198
460.625-0.3411-0.36640.47120.22270.2386-0.3858-0.62220.15850.5495-0.12870.49660.5570.41570.24530.77030.0729-0.24370.902-0.13130.585475.4254-8.4841-75.5855
470.8649-0.4258-0.66240.59231.12411.7671-0.4789-0.7982-0.80160.68770.24080.07351.80140.5697-0.03740.38910.1757-0.26380.44-0.05260.409586.1669-17.6999-96.5027
480.11180.0739-0.2430.80270.18380.3881-0.2430.38730.4839-0.4785-0.047-0.3759-0.25970.0557-0.04720.3766-0.0035-0.2280.32330.11140.698492.4065-22.1498-115.1937
491.2168-1.40050.54533.53821.81684.442-0.65760.056-0.00820.8398-0.35521.32450.7431-0.47460.19921.60380.4415-0.04622.268-0.03510.779430.5715-13.5262-18.978
501.6505-0.4747-1.77461.59381.64063.02440.9979-0.74520.6522-0.21180.2507-0.7486-0.51460.2066-0.16361.53240.5342-0.02922.3315-0.23920.43755.7019-13.1174-26.4442
511.0499-0.0445-1.37560.4014-0.13853.29660.00530.2103-0.10021.2128-0.81460.0204-1.0635-1.4772-0.81761.69120.6438-0.14991.5812-0.09580.65763.2323-19.1017-49.0797
520.3159-0.4681-0.33520.63360.54790.65-0.448-0.585-0.14060.5289-0.10110.59110.6883-0.16990.3981.07940.3494-0.14781.08170.10180.572369.6177-27.4357-72.3672
530.4414-0.06530.00460.24910.62731.2524-0.3399-0.3281-0.39640.4190.34690.44411.12570.75640.25170.76580.3452-0.10990.35090.14070.299978.3663-38.0559-93.5584
540.58590.24860.06370.34080.43350.70750.01430.20280.215-0.2653-0.3215-0.5356-0.2220.8539-0.17320.68920.1086-0.11270.27630.17340.732884.8918-42.6997-112.1048
550.2354-0.37280.55994.20781.69714.3604-0.1103-0.16540.31020.5062-0.95240.80780.8661-1.2556-0.04391.76560.2940.12131.9859-0.04470.522518.9497-17.691-21.6707
561.5892-0.7446-0.80141.37631.99773.11770.4167-0.51890.4795-0.65070.8779-0.8864-0.69650.46140.12441.40650.4990.02411.87660.01320.437442.3471-28.2094-26.7442
570.6642-0.2172-1.32340.54130.47913.51980.3892-0.9510.16720.5867-0.34510.2504-2.21130.1271-0.61361.56970.3256-0.12291.60540.13340.629249.958-34.2535-49.3423
580.1139-0.2008-0.32920.23480.32871.02620.0136-0.74460.52180.259-0.32910.28070.1284-0.6640.43021.03190.1725-0.06460.85450.23390.656755.6143-41.7394-73.1125
590.4558-0.1924-0.06720.01140.15991.6115-0.4772-0.1698-0.520.0989-0.03320.3831.6517-0.2790.34181.00460.23410.11330.41450.15390.475661.8603-52.5344-95.0907
600.6359-0.2838-0.08730.21050.23720.43490.03790.15790.053-0.2456-0.1523-0.6041-0.16410.6499-0.20450.70580.0135-0.01010.20910.21990.802968.4624-57.3438-113.5548
610.63870.99251.13583.34640.67062.91790.2745-0.5041-0.0791.0335-0.23680.043-0.8611-2.5392-0.1951.94280.69220.11782.18610.29480.61487.3291-15.3783-26.0432
621.0065-0.52170.15821.1021.28972.79860.45560.0410.22570.09080.7213-0.2769-0.39490.06240.51981.73410.64520.32061.81730.18330.275123.9278-34.9851-30.9636
630.68680.2798-1.03740.4985-0.1152.35180.6493-0.68120.4240.1967-0.57290.0167-1.11920.5412-0.20451.70840.03430.11810.96250.12610.68531.5029-41.1691-53.533
640.1003-0.0619-0.11430.1998-0.05740.3993-0.0101-0.6617-0.00580.12150.41320.091-0.49430.14350.30791.2273-0.05050.1510.83510.24230.769236.9266-47.5572-77.6648
650.3730.0122-0.05460.1887-0.00461.5594-0.1512-0.4852-0.54940.2553-0.26450.39930.9269-0.84830.26111.13680.00690.20390.42820.11940.711141.0861-57.2237-100.6128
660.4188-0.09810.72520.48210.63432.30280.16680.2416-0.3841-0.63780.0501-0.8878-0.11210.893-0.12840.79830.0493-0.01750.04290.20960.802847.6237-62.2788-119.0498
671.99151.49310.84111.4925-0.04692.6039-0.606-0.8412-0.1343-0.0222-0.6333-0.1938-0.5342-1.9718-0.28011.76770.31780.27921.4419-0.06040.6402-0.9487-7.2844-30.8986
680.6014-0.6532-0.12240.7360.27863.07240.2907-0.0690.29230.20780.7375-0.20420.54190.11240.4641.60460.12550.48971.69340.17410.49995.4244-31.7976-37.8778
691.49960.6074-1.36380.379-0.19511.79110.0348-0.88920.1696-0.0454-0.48960.0321-0.18780.39050.2751.36410.00060.20341.4130.03510.951612.8938-38.0451-60.4387
700.0829-0.11180.1050.35210.10160.3106-0.20780.2530.30620.06330.29710.1415-0.4698-0.51260.06961.1168-0.08280.20380.5650.20530.726118.6558-43.2494-84.7834
71-0.00190.14480.29580.43230.53813.9509-0.24250.0405-0.0059-0.3372-0.36420.21670.4796-1.52320.12260.7822-0.29840.20910.3366-0.0890.59121.6233-50.8968-108.6831
720.19990.0146-0.10850.5434-0.24850.2512-0.0841-0.2631-0.6195-0.124-0.1547-0.24160.58530.1484-0.55750.5698-0.21450.0253-0.07230.11670.886527.9766-56.2281-127.0944
733.3806-0.30960.77150.79681.51314.9469-0.93750.0817-0.3977-0.40490.6430.5361-0.67040.8385-0.72212.24140.98840.39221.2934-0.12951.0238115.7508-58.1554-245.488
740.0647-0.1786-0.60932.35233.52616.9788-0.0519-0.0230.45450.36580.2218-0.76090.7637-0.7704-0.1491.74670.63990.54131.3799-0.26180.9606114.9598-75.3215-225.6988
751.8511-1.4791-2.27441.83682.66284.7207-0.39850.3348-0.58480.2020.04450.765-0.5641-0.72520.12091.38990.50320.15031.1944-0.31921.0693107.4717-69.5069-203.0153
760.5756-0.4622-0.58330.51290.12891.2888-0.46440.04090.1902-0.15070.5794-0.19750.10860.3632-0.08750.95720.38090.2440.51040.05250.8524101.2494-61.4223-179.583
770.5755-0.4056-0.82460.29441.18148.61650.07820.04430.0463-0.13820.1259-0.2082-0.12311.32910.11460.3780.25130.04980.07620.01410.590398.3973-54.879-155.3703
780.54070.04870.48910.42340.12880.9545-0.3399-0.647-0.61820.6265-0.02210.52220.6944-0.2312-0.08770.6320.1139-0.02720.14390.11420.836892.1038-50.4711-136.6824
793.78350.52830.53321.38692.38124.1243-0.04851.51430.0322-1.35641.0007-0.1368-1.11410.2135-0.55072.11060.69310.47962.63430.20391.2927115.6171-46.0456-248.8256
800.1547-0.4638-0.6722.223.18376.35390.61450.02760.6664-0.1252-0.644-0.48940.7946-0.4181-0.26811.37140.63830.54021.631-0.15630.9232124.5489-57.8447-227.2171
811.2976-0.8474-2.63451.05581.8426.5864-0.57951.3519-0.8019-0.46-0.4183-0.1039-0.0319-0.63640.11451.12090.36820.16551.4905-0.22471.1695117.1268-51.947-204.5317
820.7928-0.318-0.1670.2728-0.20620.44860.32950.307-0.1918-0.6652-0.2053-0.73150.410.5514-0.15160.66160.26380.12710.87230.05441.0149109.8043-43.4248-181.5746
830.5108-0.3757-0.95080.35320.01654.01050.1374-0.12170.48760.1555-0.2256-0.6087-0.52091.3602-0.07410.21780.07670.00840.30810.0610.5991106.1691-34.6393-158.2505
843.364-0.5706-0.01080.62890.3060.73070.0461-1.3486-0.41250.5973-0.1397-0.44390.5408-0.0751-0.03560.3809-0.1503-0.05370.07860.150.9075100.1667-30.2106-139.4688
853.41611.043-0.8083.00671.95622.08-0.0130.4512-0.3748-1.10320.02060.2429-1.0317-0.3137-0.18651.7340.66580.43152.26850.05510.9023109.5668-35.9966-253.58
860.147-0.3575-0.02861.14481.18492.60640.3816-0.42331.08460.9535-0.73750.48890.7334-0.1809-0.08081.1020.93110.37972.31120.13490.7162124.7696-38.4579-232.3343
870.66320.1935-0.8990.3041-0.00824.4804-0.19010.0573-0.2487-0.8295-0.2875-0.1743-0.0577-0.3480.07491.26660.12420.32281.2838-0.03271.2831117.3851-32.5109-209.6635
880.40.19090.25330.4683-0.01290.34450.73840.94920.5315-0.4708-0.443-0.2667-0.53280.5688-0.19630.5220.12240.15410.88860.16910.9346108.8152-24.1276-187.1047
890.4707-0.43780.08920.80920.52710.82720.5508-0.36480.6963-0.90910.0287-0.2855-1.73820.6008-0.17680.4734-0.21790.17650.6011-0.0870.7317103.6294-13.7687-164.7244
901.4413-0.53010.28170.4663-0.13890.21480.0524-0.9054-0.37860.5503-0.0457-0.0076-0.2433-0.0256-0.00660.238-0.2379-0.0158-0.09060.14250.628397.9506-9.2065-145.8996
912.81910.4564-1.91553.54020.79811.62180.08220.583-0.5647-0.8518-0.3589-0.3879-0.6991-0.580.23661.55720.30270.44611.5692-0.01141.103299.0047-30.9123-258.3672
920.82490.05810.4457-0.02280.09550.33840.2323-0.37190.50830.75040.7375-0.08840.5920.75040.02711.22570.40670.52011.70680.1570.6318115.3862-22.278-239.7807
930.38440.02940.42960.6052-0.70071.536-0.35530.4014-0.2951-0.7398-0.47780.04520.4659-0.8801-0.00291.47260.00490.47441.5529-0.08521.1594108.0794-16.2305-217.1284
940.08070.02190.05110.6691-0.00230.07690.35580.63090.2995-0.6766-0.2141-0.48990.0080.2172-0.21090.88720.14430.32860.89550.24640.917898.609-8.6361-194.6525
951.1583-0.5821-1.22840.960.62262.55840.5883-0.03371.0442-0.8784-0.2955-0.0715-1.65340.1672-0.12580.5163-0.13790.1867-0.07790.26320.454791.12592.2287-173.1527
960.74290.2836-0.32570.70880.83041.80130.0541-0.326-0.45390.08450.1695-0.2702-0.09830.3990.39530.4731-0.0528-0.07590.02070.2440.823585.62557.0796-154.3186
972.8264-0.3937-2.14933.43730.00631.63210.18592.0055-0.9807-1.4567-0.9013-0.10980.2875-1.10390.58512.60280.42660.44221.87420.07350.948686.9346-32.1678-261.974
981.99410.558-0.88170.27230.02771.004-0.0003-0.20730.84930.61571.34450.5269-0.20470.59960.05811.93020.0010.56122.2390.10150.652798.8011-13.7977-247.5113
990.2907-0.08940.25760.6558-0.55450.7865-0.24840.3366-0.7391-0.986-0.8462-0.01240.4850.2105-0.09841.7170.38220.47511.11460.25111.068591.5635-7.6899-224.8427
1000.2356-0.4602-0.18040.75010.35420.18050.40710.40140.0085-0.3009-0.3127-0.3568-0.1278-0.1437-0.18821.28250.37230.22950.81440.36890.748781.5948-1.1446-202.2656
1011.9406-0.477-2.16080.53040.29352.48170.22571.07950.1231-0.5974-0.28390.736-0.8107-1.0304-0.31150.97760.35020.14070.35810.33730.51571.78168.8433-181.2278
1021.48120.0637-0.06440.28630.09790.09490.1423-0.84990.10930.3741-0.2678-0.3668-0.21410.1334-0.0070.8503-0.0245-0.01330.19310.2120.925566.269513.8949-162.4703
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1071.0713-0.4882-1.39740.29660.27022.44890.36220.7831-0.4385-0.3825-0.45830.56-0.5168-1.3894-0.19131.05520.37740.05220.55040.29250.595551.00384.4413-186.8342
1080.06840.1633-0.1270.6511-0.43030.37370.3667-0.17050.42940.3374-0.4603-0.1991-0.59690.57250.14140.68420.4602-0.1662-1.09650.67490.623745.31839.7051-168.138
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1111.7041-0.5259-1.33650.261.15846.1255-0.81060.4028-0.48650.81770.218-0.31340.39050.8403-0.17361.31840.44440.07051.70130.13590.715555.6117-19.9285-233.3049
1120.4709-0.3639-0.59320.48210.42631.37570.15480.46820.1158-0.36330.1932-0.10590.2893-0.3767-0.03561.21170.5152-0.11621.07130.21530.579746.3854-15.4761-209.8957
1131.1895-0.9725-2.32410.88161.49674.64760.2960.797-0.1264-0.2818-0.49360.4164-0.4253-1.3997-0.70720.49730.3719-0.13410.40070.19210.180134.2319-9.7786-188.4916
1141.9205-0.004-1.42510.7363-0.48661.37950.2328-0.63840.54030.6018-0.1644-0.015-0.86440.09590.06920.62670.2005-0.15250.27980.13550.604428.3523-4.2812-169.9076
1154.8307-0.0544-0.96410.5084-0.70444.1735-1.14730.8225-0.05740.1622-0.2782-0.43140.25290.20080.95961.71130.19230.09391.8402-0.1270.869670.9424-62.5587-259.1212
1162.1499-0.6007-3.06890.93761.20415.05421.0878-0.69951.22020.28140.4339-0.0531-1.23010.32940.2891.81560.7882-0.06271.9952-0.20280.080253.2766-43.777-254.369
1172.2191-0.6092-3.05651.00772.18426.5827-0.7117-0.5626-0.0478-0.02550.7432-0.3048-0.1751.5144-0.12281.25940.3836-0.09141.8522-0.02780.594445.829-37.4813-231.7958
1180.0229-0.0434-0.01260.1319-0.11810.5459-0.24030.32970.0695-0.1565-0.330.041.2283-0.34930.05661.11550.2052-0.15060.9608-0.00620.68937.6731-33.429-207.8939
1190.8013-0.0364-1.3178-0.02850.04383.6873-0.19940.0102-0.7643-0.1463-0.28850.12191.1057-0.9994-0.15860.33250.1203-0.15770.4182-0.07920.242526.2222-30.0575-185.6384
1200.7983-0.5925-0.12330.5913-0.31780.6907-0.0019-0.1960.47790.1402-0.25110.0489-0.6677-0.30360.02630.4994-0.0121-0.21340.33030.00630.640620.1171-24.5741-167.1718
1212.79581.51940.47521.3546-0.93473.8213-1.36870.57510.227-0.8621-0.2337-0.38641.27321.26660.80062.06090.5872-0.09812.9155-0.34620.818677.1038-72.6551-254.4232
1221.7831-0.7636-1.77070.92680.40281.87071.07370.27060.39880.3122-0.18520.5644-1.1462-0.14850.41791.4670.4959-0.08581.7588-0.44170.435153.1798-63.1127-249.1968
1231.6685-0.5735-2.39941.56711.43283.6673-0.49820.5464-0.3606-0.8914-0.2551-0.1650.3940.3036-0.05021.2147-0.0992-0.04681.5629-0.33790.868645.6064-56.8993-226.6469
1240.1982-0.06350.02330.06210.06980.2735-0.01550.4557-0.09160.17640.0229-0.17250.4786-0.18390.10840.98050.1045-0.19610.8831-0.17440.675238.612-52.731-202.4358
1250.29510.0913-0.582-0.0085-0.00221.72370.0260.4453-0.7973-0.5174-0.2498-0.38741.2627-0.84560.11190.652-0.0109-0.06180.3418-0.14440.350828.8227-50.9323-179.2164
1260.7294-0.40540.07890.3322-0.30170.49380.24670.11580.5232-0.2025-0.25480.5037-0.5739-0.04720.02020.5466-0.0593-0.18290.1856-0.01230.788522.4197-45.5917-160.7915
1271.17181.24421.0862.6569-0.46653.5772-0.61240.27970.4694-0.4805-0.5902-0.67181.12671.40830.40391.67040.5128-0.03851.9479-0.26150.612187.5917-77.6793-249.6811
1281.0255-0.4877-0.34930.33870.03310.2110.18230.40180.0162-0.02550.582-0.9123-0.6887-1.15440.29551.78070.22310.15211.9878-0.85140.660762.596-79.2784-241.8086
1290.7592-0.4794-0.41941.65320.68670.4286-0.05080.4569-0.2036-0.43060.0612-0.1036-0.43990.64420.03421.65970.1518-0.05511.1833-0.34780.927454.9824-73.1793-219.2413
1300.2224-0.0032-0.23140.1866-0.0640.2585-0.19880.7694-0.40350.063-0.5849-0.40850.1453-0.58680.10161.3098-0.1220.07870.5986-0.34650.824948.9585-68.1696-194.8874
1310.35760.4646-0.72770.66250.00472.8671-0.0676-0.1427-0.85770.1272-0.56410.16921.66170.4238-0.15070.9936-0.08760.06450.0426-0.17670.629141.4933-66.8023-170.8211
1320.23080.1762-0.09820.30410.22970.7151-0.17030.0450.1746-0.4574-0.14360.6026-0.1354-0.58-0.1520.5882-0.0164-0.1691-0.10020.00330.78434.8262-61.7745-152.4327
1331.19120.19971.76133.18770.15732.9696-0.22150.42440.2903-0.8267-0.37330.3230.45821.3881-0.14332.04140.55230.02451.7744-0.36860.917899.689-76.5187-245.9621
1341.10610.12760.38290.0070.13541.4422-0.02070.60280.0537-0.01370.5916-0.62270.0101-0.22040.08661.8040.12020.39581.4747-0.64370.972979.1322-87.7392-234.111
1350.5095-0.581-0.09491.88620.53460.15960.62020.4171-0.0783-0.9666-0.62910.1855-1.01420.85630.09212.00610.25610.20220.9591-0.21091.044871.4888-81.6623-211.5357
1360.1-0.06160.13160.2313-0.02960.34450.45750.395-0.239-0.051-0.2238-0.42040.13840.30750.05491.22760.20360.09140.3316-0.20470.910266.0259-75.5621-187.3283
1370.166-0.3272-0.28280.67140.43270.3097-0.06560.3769-0.7264-0.2730.0559-0.50930.48580.68280.03310.89310.21570.0593-0.05930.01170.641660.846-73.2154-162.7248
1380.10480.2528-0.04530.6846-0.05560.11790.1525-0.4243-0.07260.1102-0.40250.76120.2166-0.0108-0.74170.93110.21410.0164-1.83470.25380.987754.1663-68.4083-144.311
1392.2663-0.62361.68392.05020.95742.7137-0.42230.8860.0703-0.3034-0.39120.2324-0.18971.2509-0.56341.52370.36670.34371.348-0.38331.0022110.0808-69.3617-244.4062
1400.47540.46920.36971.1191.88474.54940.06540.43940.2131-0.19920.3654-1.1395-0.4203-0.7035-0.14992.17170.51140.4581.2229-0.51960.950198.2149-86.2537-228.2366
1410.8542-0.9763-0.52332.45751.14690.62750.6690.9664-0.35170.1229-0.59870.5282-1.42070.71210.11051.70660.62670.22671.2006-0.21051.08790.643-80.2654-205.6102
1420.2775-0.4181-0.00660.67940.30531.54610.25630.73030.2366-0.3274-0.1436-0.29340.37071.1188-0.01821.38490.51990.12730.4952-0.17990.955585.1049-73.1091-181.7501
1430.5008-0.6812-0.59010.71440.28642.9672-0.2711-0.24430.04490.814-0.2993-0.50610.70561.742-0.38210.79180.69050.1972-1.2369-0.09250.4481.6127-68.9929-157.0499
1440.21750.1102-0.02640.1502-0.10620.0679-0.03410.1808-0.2506-0.2999-0.06320.63960.0489-0.5129-0.16740.80220.10430.0339-0.74110.10160.907275.1048-64.3686-138.4748
精密化 TLSグループ
IDRefine-IDRefine TLS-IDSelection details
1X-RAY DIFFRACTION1CHAIN A AND (RESID 8:28 )
2X-RAY DIFFRACTION2CHAIN A AND (RESID 29:41 OR RESID 170:206 )
3X-RAY DIFFRACTION3CHAIN A AND (RESID 42:60 OR RESID 153:169 OR RESID 207:222 )
4X-RAY DIFFRACTION4CHAIN A AND (RESID 61:75 OR RESID 135:152 OR RESID 223:240 )
5X-RAY DIFFRACTION5CHAIN A AND (RESID 76:90 OR RESID 122:134 OR RESID 241:258 OR RESID 284:292 OR RESID 304:305 )
6X-RAY DIFFRACTION6CHAIN A AND (RESID 91:121 OR RESID 259:283 )
7X-RAY DIFFRACTION7CHAIN B AND (RESID 8:28 )
8X-RAY DIFFRACTION8CHAIN B AND (RESID 29:41 OR RESID 170:206 )
9X-RAY DIFFRACTION9CHAIN B AND (RESID 42:60 OR RESID 153:169 OR RESID 207:222 )
10X-RAY DIFFRACTION10CHAIN B AND (RESID 61:75 OR RESID 135:152 OR RESID 223:240 )
11X-RAY DIFFRACTION11CHAIN B AND (RESID 76:90 OR RESID 122:134 OR RESID 241:258 OR RESID 284:292 OR RESID 304:305 )
12X-RAY DIFFRACTION12CHAIN B AND (RESID 91:121 OR RESID 259:283 )
13X-RAY DIFFRACTION13CHAIN C AND (RESID 8:28 )
14X-RAY DIFFRACTION14CHAIN C AND (RESID 29:41 OR RESID 170:206 )
15X-RAY DIFFRACTION15CHAIN C AND (RESID 42:60 OR RESID 153:169 OR RESID 207:222 )
16X-RAY DIFFRACTION16CHAIN C AND (RESID 61:75 OR RESID 135:152 OR RESID 223:240 )
17X-RAY DIFFRACTION17CHAIN C AND (RESID 76:90 OR RESID 122:134 OR RESID 241:258 OR RESID 284:292 OR RESID 304:305 )
18X-RAY DIFFRACTION18CHAIN C AND (RESID 91:121 OR RESID 259:283 )
19X-RAY DIFFRACTION19CHAIN D AND (RESID 8:28 )
20X-RAY DIFFRACTION20CHAIN D AND (RESID 29:41 OR RESID 170:206 )
21X-RAY DIFFRACTION21CHAIN D AND (RESID 42:60 OR RESID 153:169 OR RESID 207:222 )
22X-RAY DIFFRACTION22CHAIN D AND (RESID 61:75 OR RESID 135:152 OR RESID 223:240 )
23X-RAY DIFFRACTION23CHAIN D AND (RESID 76:90 OR RESID 122:134 OR RESID 241:258 OR RESID 284:292 OR RESID 304:305 )
24X-RAY DIFFRACTION24CHAIN D AND (RESID 91:121 OR RESID 259:283 )
25X-RAY DIFFRACTION25CHAIN E AND (RESID 8:28 )
26X-RAY DIFFRACTION26CHAIN E AND (RESID 29:41 OR RESID 170:206 )
27X-RAY DIFFRACTION27CHAIN E AND (RESID 42:60 OR RESID 153:169 OR RESID 207:222 )
28X-RAY DIFFRACTION28CHAIN E AND (RESID 61:75 OR RESID 135:152 OR RESID 223:240 )
29X-RAY DIFFRACTION29CHAIN E AND (RESID 76:90 OR RESID 122:134 OR RESID 241:258 OR RESID 284:292 OR RESID 304:305 )
30X-RAY DIFFRACTION30CHAIN E AND (RESID 91:121 OR RESID 259:283 )
31X-RAY DIFFRACTION31CHAIN F AND (RESID 8:28 )
32X-RAY DIFFRACTION32CHAIN F AND (RESID 29:41 OR RESID 170:206 )
33X-RAY DIFFRACTION33CHAIN F AND (RESID 42:60 OR RESID 153:169 OR RESID 207:222 )
34X-RAY DIFFRACTION34CHAIN F AND (RESID 61:75 OR RESID 135:152 OR RESID 223:240 )
35X-RAY DIFFRACTION35CHAIN F AND (RESID 76:90 OR RESID 122:134 OR RESID 241:258 OR RESID 284:292 OR RESID 304:305 )
36X-RAY DIFFRACTION36CHAIN F AND (RESID 91:121 OR RESID 259:283 )
37X-RAY DIFFRACTION37CHAIN G AND (RESID 8:28 )
38X-RAY DIFFRACTION38CHAIN G AND (RESID 29:41 OR RESID 170:206 )
39X-RAY DIFFRACTION39CHAIN G AND (RESID 42:60 OR RESID 153:169 OR RESID 207:222 )
40X-RAY DIFFRACTION40CHAIN G AND (RESID 61:75 OR RESID 135:152 OR RESID 223:240 )
41X-RAY DIFFRACTION41CHAIN G AND (RESID 76:90 OR RESID 122:134 OR RESID 241:258 OR RESID 284:292 OR RESID 304:305 )
42X-RAY DIFFRACTION42CHAIN G AND (RESID 91:121 OR RESID 259:283 )
43X-RAY DIFFRACTION43CHAIN H AND (RESID 8:28 )
44X-RAY DIFFRACTION44CHAIN H AND (RESID 29:41 OR RESID 170:206 )
45X-RAY DIFFRACTION45CHAIN H AND (RESID 42:60 OR RESID 153:169 OR RESID 207:222 )
46X-RAY DIFFRACTION46CHAIN H AND (RESID 61:75 OR RESID 135:152 OR RESID 223:240 )
47X-RAY DIFFRACTION47CHAIN H AND (RESID 76:90 OR RESID 122:134 OR RESID 241:258 OR RESID 284:292 OR RESID 304:305 )
48X-RAY DIFFRACTION48CHAIN H AND (RESID 91:121 OR RESID 259:283 )
49X-RAY DIFFRACTION49CHAIN I AND (RESID 8:28 )
50X-RAY DIFFRACTION50CHAIN I AND (RESID 29:41 OR RESID 170:206 )
51X-RAY DIFFRACTION51CHAIN I AND (RESID 42:60 OR RESID 153:169 OR RESID 207:222 )
52X-RAY DIFFRACTION52CHAIN I AND (RESID 61:75 OR RESID 135:152 OR RESID 223:240 )
53X-RAY DIFFRACTION53CHAIN I AND (RESID 76:90 OR RESID 122:134 OR RESID 241:258 OR RESID 284:292 OR RESID 304:305 )
54X-RAY DIFFRACTION54CHAIN I AND (RESID 91:121 OR RESID 259:283 )
55X-RAY DIFFRACTION55CHAIN J AND (RESID 8:28 )
56X-RAY DIFFRACTION56CHAIN J AND (RESID 29:41 OR RESID 170:206 )
57X-RAY DIFFRACTION57CHAIN J AND (RESID 42:60 OR RESID 153:169 OR RESID 207:222 )
58X-RAY DIFFRACTION58CHAIN J AND (RESID 61:75 OR RESID 135:152 OR RESID 223:240 )
59X-RAY DIFFRACTION59CHAIN J AND (RESID 76:90 OR RESID 122:134 OR RESID 241:258 OR RESID 284:292 OR RESID 304:305 )
60X-RAY DIFFRACTION60CHAIN J AND (RESID 91:121 OR RESID 259:283 )
61X-RAY DIFFRACTION61CHAIN K AND (RESID 8:28 )
62X-RAY DIFFRACTION62CHAIN K AND (RESID 29:41 OR RESID 170:206 )
63X-RAY DIFFRACTION63CHAIN K AND (RESID 42:60 OR RESID 153:169 OR RESID 207:222 )
64X-RAY DIFFRACTION64CHAIN K AND (RESID 61:75 OR RESID 135:152 OR RESID 223:240 )
65X-RAY DIFFRACTION65CHAIN K AND (RESID 76:90 OR RESID 122:134 OR RESID 241:258 OR RESID 284:292 OR RESID 304:305 )
66X-RAY DIFFRACTION66CHAIN K AND (RESID 91:121 OR RESID 259:283 )
67X-RAY DIFFRACTION67CHAIN L AND (RESID 8:28 )
68X-RAY DIFFRACTION68CHAIN L AND (RESID 29:41 OR RESID 170:206 )
69X-RAY DIFFRACTION69CHAIN L AND (RESID 42:60 OR RESID 153:169 OR RESID 207:222 )
70X-RAY DIFFRACTION70CHAIN L AND (RESID 61:75 OR RESID 135:152 OR RESID 223:240 )
71X-RAY DIFFRACTION71CHAIN L AND (RESID 76:90 OR RESID 122:134 OR RESID 241:258 OR RESID 284:292 OR RESID 304:305 )
72X-RAY DIFFRACTION72CHAIN L AND (RESID 91:121 OR RESID 259:283 )
73X-RAY DIFFRACTION73CHAIN M AND (RESID 8:28 )
74X-RAY DIFFRACTION74CHAIN M AND (RESID 29:41 OR RESID 170:206 )
75X-RAY DIFFRACTION75CHAIN M AND (RESID 42:60 OR RESID 153:169 OR RESID 207:222 )
76X-RAY DIFFRACTION76CHAIN M AND (RESID 61:75 OR RESID 135:152 OR RESID 223:240 )
77X-RAY DIFFRACTION77CHAIN M AND (RESID 76:90 OR RESID 122:134 OR RESID 241:258 OR RESID 284:292 OR RESID 304:305 )
78X-RAY DIFFRACTION78CHAIN M AND (RESID 91:121 OR RESID 259:283 )
79X-RAY DIFFRACTION79CHAIN N AND (RESID 8:28 )
80X-RAY DIFFRACTION80CHAIN N AND (RESID 29:41 OR RESID 170:206 )
81X-RAY DIFFRACTION81CHAIN N AND (RESID 42:60 OR RESID 153:169 OR RESID 207:222 )
82X-RAY DIFFRACTION82CHAIN N AND (RESID 61:75 OR RESID 135:152 OR RESID 223:240 )
83X-RAY DIFFRACTION83CHAIN N AND (RESID 76:90 OR RESID 122:134 OR RESID 241:258 OR RESID 284:292 OR RESID 304:305 )
84X-RAY DIFFRACTION84CHAIN N AND (RESID 91:121 OR RESID 259:283 )
85X-RAY DIFFRACTION85CHAIN O AND (RESID 8:28 )
86X-RAY DIFFRACTION86CHAIN O AND (RESID 29:41 OR RESID 170:206 )
87X-RAY DIFFRACTION87CHAIN O AND (RESID 42:60 OR RESID 153:169 OR RESID 207:222 )
88X-RAY DIFFRACTION88CHAIN O AND (RESID 61:75 OR RESID 135:152 OR RESID 223:240 )
89X-RAY DIFFRACTION89CHAIN O AND (RESID 76:90 OR RESID 122:134 OR RESID 241:258 OR RESID 284:292 OR RESID 304:305 )
90X-RAY DIFFRACTION90CHAIN O AND (RESID 91:121 OR RESID 259:283 )
91X-RAY DIFFRACTION91CHAIN P AND (RESID 8:28 )
92X-RAY DIFFRACTION92CHAIN P AND (RESID 29:41 OR RESID 170:206 )
93X-RAY DIFFRACTION93CHAIN P AND (RESID 42:60 OR RESID 153:169 OR RESID 207:222 )
94X-RAY DIFFRACTION94CHAIN P AND (RESID 61:75 OR RESID 135:152 OR RESID 223:240 )
95X-RAY DIFFRACTION95CHAIN P AND (RESID 76:90 OR RESID 122:134 OR RESID 241:258 OR RESID 284:292 OR RESID 304:305 )
96X-RAY DIFFRACTION96CHAIN P AND (RESID 91:121 OR RESID 259:283 )
97X-RAY DIFFRACTION97CHAIN Q AND (RESID 8:28 )
98X-RAY DIFFRACTION98CHAIN Q AND (RESID 29:41 OR RESID 170:206 )
99X-RAY DIFFRACTION99CHAIN Q AND (RESID 42:60 OR RESID 153:169 OR RESID 207:222 )
100X-RAY DIFFRACTION100CHAIN Q AND (RESID 61:75 OR RESID 135:152 OR RESID 223:240 )
101X-RAY DIFFRACTION101CHAIN Q AND (RESID 76:90 OR RESID 122:134 OR RESID 241:258 OR RESID 284:292 OR RESID 304:305 )
102X-RAY DIFFRACTION102CHAIN Q AND (RESID 91:121 OR RESID 259:283 )
103X-RAY DIFFRACTION103CHAIN R AND (RESID 8:28 )
104X-RAY DIFFRACTION104CHAIN R AND (RESID 29:41 OR RESID 170:206 )
105X-RAY DIFFRACTION105CHAIN R AND (RESID 42:60 OR RESID 153:169 OR RESID 207:222 )
106X-RAY DIFFRACTION106CHAIN R AND (RESID 61:75 OR RESID 135:152 OR RESID 223:240 )
107X-RAY DIFFRACTION107CHAIN R AND (RESID 76:90 OR RESID 122:134 OR RESID 241:258 OR RESID 284:292 OR RESID 304:305 )
108X-RAY DIFFRACTION108CHAIN R AND (RESID 91:121 OR RESID 259:283 )
109X-RAY DIFFRACTION109CHAIN S AND (RESID 8:28 )
110X-RAY DIFFRACTION110CHAIN S AND (RESID 29:41 OR RESID 170:206 )
111X-RAY DIFFRACTION111CHAIN S AND (RESID 42:60 OR RESID 153:169 OR RESID 207:222 )
112X-RAY DIFFRACTION112CHAIN S AND (RESID 61:75 OR RESID 135:152 OR RESID 223:240 )
113X-RAY DIFFRACTION113CHAIN S AND (RESID 76:90 OR RESID 122:134 OR RESID 241:258 OR RESID 284:292 OR RESID 304:305 )
114X-RAY DIFFRACTION114CHAIN S AND (RESID 91:121 OR RESID 259:283 )
115X-RAY DIFFRACTION115CHAIN T AND (RESID 8:28 )
116X-RAY DIFFRACTION116CHAIN T AND (RESID 29:41 OR RESID 170:206 )
117X-RAY DIFFRACTION117CHAIN T AND (RESID 42:60 OR RESID 153:169 OR RESID 207:222 )
118X-RAY DIFFRACTION118CHAIN T AND (RESID 61:75 OR RESID 135:152 OR RESID 223:240 )
119X-RAY DIFFRACTION119CHAIN T AND (RESID 76:90 OR RESID 122:134 OR RESID 241:258 OR RESID 284:292 OR RESID 304:305 )
120X-RAY DIFFRACTION120CHAIN T AND (RESID 91:121 OR RESID 259:283 )
121X-RAY DIFFRACTION121CHAIN U AND (RESID 8:28 )
122X-RAY DIFFRACTION122CHAIN U AND (RESID 29:41 OR RESID 170:206 )
123X-RAY DIFFRACTION123CHAIN U AND (RESID 42:60 OR RESID 153:169 OR RESID 207:222 )
124X-RAY DIFFRACTION124CHAIN U AND (RESID 61:75 OR RESID 135:152 OR RESID 223:240 )
125X-RAY DIFFRACTION125CHAIN U AND (RESID 76:90 OR RESID 122:134 OR RESID 241:258 OR RESID 284:292 OR RESID 304:305 )
126X-RAY DIFFRACTION126CHAIN U AND (RESID 91:121 OR RESID 259:283 )
127X-RAY DIFFRACTION127CHAIN V AND (RESID 8:28 )
128X-RAY DIFFRACTION128CHAIN V AND (RESID 29:41 OR RESID 170:206 )
129X-RAY DIFFRACTION129CHAIN V AND (RESID 42:60 OR RESID 153:169 OR RESID 207:222 )
130X-RAY DIFFRACTION130CHAIN V AND (RESID 61:75 OR RESID 135:152 OR RESID 223:240 )
131X-RAY DIFFRACTION131CHAIN V AND (RESID 76:90 OR RESID 122:134 OR RESID 241:258 OR RESID 284:292 OR RESID 304:305 )
132X-RAY DIFFRACTION132CHAIN V AND (RESID 91:121 OR RESID 259:283 )
133X-RAY DIFFRACTION133CHAIN W AND (RESID 8:28 )
134X-RAY DIFFRACTION134CHAIN W AND (RESID 29:41 OR RESID 170:206 )
135X-RAY DIFFRACTION135CHAIN W AND (RESID 42:60 OR RESID 153:169 OR RESID 207:222 )
136X-RAY DIFFRACTION136CHAIN W AND (RESID 61:75 OR RESID 135:152 OR RESID 223:240 )
137X-RAY DIFFRACTION137CHAIN W AND (RESID 76:90 OR RESID 122:134 OR RESID 241:258 OR RESID 284:292 OR RESID 304:305 )
138X-RAY DIFFRACTION138CHAIN W AND (RESID 91:121 OR RESID 259:283 )
139X-RAY DIFFRACTION139CHAIN X AND (RESID 8:28 )
140X-RAY DIFFRACTION140CHAIN X AND (RESID 29:41 OR RESID 170:206 )
141X-RAY DIFFRACTION141CHAIN X AND (RESID 42:60 OR RESID 153:169 OR RESID 207:222 )
142X-RAY DIFFRACTION142CHAIN X AND (RESID 61:75 OR RESID 135:152 OR RESID 223:240 )
143X-RAY DIFFRACTION143CHAIN X AND (RESID 76:90 OR RESID 122:134 OR RESID 241:258 OR RESID 284:292 OR RESID 304:305 )
144X-RAY DIFFRACTION144CHAIN X AND (RESID 91:121 OR RESID 259:283 )

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万見について

-
お知らせ

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2022年2月9日: EMDBエントリの付随情報ファイルのフォーマットが新しくなりました

EMDBエントリの付随情報ファイルのフォーマットが新しくなりました

  • EMDBのヘッダファイルのバージョン3が、公式のフォーマットとなりました。
  • これまでは公式だったバージョン1.9は、アーカイブから削除されます。

関連情報:EMDBヘッダ

外部リンク:wwPDBはEMDBデータモデルのバージョン3へ移行します

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2020年8月12日: 新型コロナ情報

新型コロナ情報

URL: https://pdbj.org/emnavi/covid19.php

新ページ: EM Navigatorに新型コロナウイルスの特設ページを開設しました。

関連情報:Covid-19情報 / 2020年3月5日: 新型コロナウイルスの構造データ

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2020年3月5日: 新型コロナウイルスの構造データ

新型コロナウイルスの構造データ

関連情報:万見生物種 / 2020年8月12日: 新型コロナ情報

外部リンク:COVID-19特集ページ - PDBj / 今月の分子2020年2月：コロナウイルスプロテーアーゼ

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2019年1月31日: EMDBのIDの桁数の変更

EMDBのIDの桁数の変更

  • EMDBエントリに付与されているアクセスコード(EMDB-ID)は4桁の数字(例、EMD-1234)でしたが、間もなく枯渇します。これまでの4桁のID番号は4桁のまま変更されませんが、4桁の数字を使い切った後に発行されるIDは5桁以上の数字(例、EMD-12345)になります。5桁のIDは2019年の春頃から発行される見通しです。
  • EM Navigator/万見では、接頭語「EMD-」は省略されています。

関連情報:Q: 「EMD」とは何ですか？ / 万見/EM NavigatorにおけるID/アクセスコードの表記

外部リンク:EMDB Accession Codes are Changing Soon! / PDBjへお問い合わせ

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2017年7月12日: PDB大規模アップデート

PDB大規模アップデート

  • 新バージョンのPDBx/mmCIF辞書形式に基づくデータがリリースされました。
  • 今回の更新はバージョン番号が4から5になる大規模なもので、全エントリデータの書き換えが行われる「Remediation」というアップデートに該当します。
  • このバージョンアップで、電子顕微鏡の実験手法に関する多くの項目の書式が改定されました(例：em_softwareなど)。
  • EM NavigatorとYorodumiでも、この改定に基づいた表示内容になります。

外部リンク:wwPDB Remediation / OneDepデータ基準に準拠した、より強化された内容のモデル構造ファイルが、PDBアーカイブで公開されました。

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万見 (Yorodumi)

幾万の構造データを、幾万の視点から

  • 万見(Yorodumi)は、EMDB/PDB/SASBDBなどの構造データを閲覧するためのページです。
  • EM Navigatorの詳細ページの後継、Omokage検索のフロントエンドも兼ねています。

関連情報:EMDB / PDB / SASBDB / 3つのデータバンクの比較 / 万見検索 / 2016年8月31日: 新しいEM Navigatorと万見 / 万見文献 / Jmol/JSmol / 機能・相同性情報 / 新しいEM Navigatorと万見の変更点

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