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- PDB-1n5a: Crystal structure of the Murine class I Major Histocompatibility ... -

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基本情報

登録情報
データベース: PDB / ID: 1n5a
タイトルCrystal structure of the Murine class I Major Histocompatibility Complex of H-2DB, B2-Microglobulin, and A 9-Residue immunodominant peptide epitope gp33 derived from LCMV
要素
  • Beta-2-microglobulin
  • H-2 class I histocompatibility antigen, D-B alpha chain
  • nonameric peptide, gp33 derived from lymphocytic choriomeningitis virus
キーワードIMMUNE SYSTEM / Murine MHC / viral escape / LCMV / immunodominant epitope
機能・相同性
機能・相同性情報


Endosomal/Vacuolar pathway / DAP12 interactions / Antigen Presentation: Folding, assembly and peptide loading of class I MHC / ER-Phagosome pathway / DAP12 signaling / Immunoregulatory interactions between a Lymphoid and a non-Lymphoid cell / antigen processing and presentation of endogenous peptide antigen via MHC class I via ER pathway, TAP-dependent / host cell Golgi membrane / cellular defense response / receptor-mediated endocytosis of virus by host cell ...Endosomal/Vacuolar pathway / DAP12 interactions / Antigen Presentation: Folding, assembly and peptide loading of class I MHC / ER-Phagosome pathway / DAP12 signaling / Immunoregulatory interactions between a Lymphoid and a non-Lymphoid cell / antigen processing and presentation of endogenous peptide antigen via MHC class I via ER pathway, TAP-dependent / host cell Golgi membrane / cellular defense response / receptor-mediated endocytosis of virus by host cell / Neutrophil degranulation / lumenal side of endoplasmic reticulum membrane / antigen processing and presentation of exogenous protein antigen via MHC class Ib, TAP-dependent / cellular response to iron(III) ion / negative regulation of forebrain neuron differentiation / iron ion transport / peptide antigen assembly with MHC class I protein complex / regulation of erythrocyte differentiation / regulation of iron ion transport / response to molecule of bacterial origin / MHC class I peptide loading complex / HFE-transferrin receptor complex / T cell mediated cytotoxicity / antigen processing and presentation of endogenous peptide antigen via MHC class I / positive regulation of T cell cytokine production / MHC class I protein complex / positive regulation of receptor-mediated endocytosis / negative regulation of neurogenesis / positive regulation of T cell mediated cytotoxicity / cellular response to nicotine / multicellular organismal-level iron ion homeostasis / phagocytic vesicle membrane / negative regulation of epithelial cell proliferation / sensory perception of smell / positive regulation of cellular senescence / T cell differentiation in thymus / negative regulation of neuron projection development / protein refolding / protein homotetramerization / amyloid fibril formation / intracellular iron ion homeostasis / learning or memory / host cell endoplasmic reticulum membrane / external side of plasma membrane / fusion of virus membrane with host endosome membrane / viral envelope / virion attachment to host cell / host cell plasma membrane / virion membrane / structural molecule activity / Golgi apparatus / protein homodimerization activity / extracellular space / metal ion binding / membrane / plasma membrane / cytosol
類似検索 - 分子機能
Arenavirus glycoprotein, zinc binding domain / Arenavirus glycoprotein / Arenavirus glycoprotein / MHC class I, alpha chain, C-terminal / MHC_I C-terminus / MHC class I-like antigen recognition-like / Murine Class I Major Histocompatibility Complex, H2-DB; Chain A, domain 1 / MHC class I alpha chain, alpha1 alpha2 domains / Class I Histocompatibility antigen, domains alpha 1 and 2 / Beta-2-Microglobulin ...Arenavirus glycoprotein, zinc binding domain / Arenavirus glycoprotein / Arenavirus glycoprotein / MHC class I, alpha chain, C-terminal / MHC_I C-terminus / MHC class I-like antigen recognition-like / Murine Class I Major Histocompatibility Complex, H2-DB; Chain A, domain 1 / MHC class I alpha chain, alpha1 alpha2 domains / Class I Histocompatibility antigen, domains alpha 1 and 2 / Beta-2-Microglobulin / : / MHC class I-like antigen recognition-like / MHC class I-like antigen recognition-like superfamily / MHC classes I/II-like antigen recognition protein / : / Immunoglobulin/major histocompatibility complex, conserved site / Immunoglobulins and major histocompatibility complex proteins signature. / Immunoglobulin C-Type / Immunoglobulin C1-set / Immunoglobulin C1-set domain / Ig-like domain profile. / Immunoglobulin-like domain / Immunoglobulin-like domain superfamily / Immunoglobulin-like fold / Immunoglobulins / Immunoglobulin-like / Sandwich / 2-Layer Sandwich / Mainly Beta / Alpha Beta
類似検索 - ドメイン・相同性
Beta-2-microglobulin / H-2 class I histocompatibility antigen, D-B alpha chain / Pre-glycoprotein polyprotein GP complex
類似検索 - 構成要素
生物種Mus musculus (ハツカネズミ)
手法X線回折 / シンクロトロン / 分子置換 / 解像度: 2.85 Å
データ登録者Achour, A. / Michaelsson, J. / Harris, R.A. / Odeberg, J. / Grufman, P. / Sandberg, J.K. / Levitsky, V. / Karre, K. / Sandalova, T. / Schneider, G.
引用ジャーナル: Immunity / : 2002
タイトル: A Structural Basis for LCMV Immune Evasion. Subversion of H-2D(b) and H-2K(b) Presentation of gp33 Revealed by Comparative Crystal Structure Analyses.
著者: Achour, A. / Michaelsson, J. / Harris, R.A. / Odeberg, J. / Grufman, P. / Sandberg, J.K. / Levitsky, V. / Karre, K. / Sandalova, T. / Schneider, G.
履歴
登録2002年11月5日登録サイト: RCSB / 処理サイト: RCSB
改定 1.02003年1月7日Provider: repository / タイプ: Initial release
改定 1.12008年4月28日Group: Version format compliance
改定 1.22011年7月13日Group: Advisory / Version format compliance
改定 1.32018年3月7日Group: Data collection / カテゴリ: diffrn_source / Item: _diffrn_source.pdbx_synchrotron_site
改定 1.42021年10月27日Group: Database references / カテゴリ: database_2 / struct_ref_seq_dif
Item: _database_2.pdbx_DOI / _database_2.pdbx_database_accession / _struct_ref_seq_dif.details
改定 1.52024年10月30日Group: Data collection / Refinement description / Structure summary
カテゴリ: chem_comp_atom / chem_comp_bond ...chem_comp_atom / chem_comp_bond / pdbx_entry_details / pdbx_initial_refinement_model / pdbx_modification_feature / struct_ncs_dom_lim
Item: _struct_ncs_dom_lim.beg_auth_comp_id / _struct_ncs_dom_lim.end_auth_comp_id

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構造の表示

構造ビューア分子:
MolmilJmol/JSmol

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集合体

登録構造単位
A: H-2 class I histocompatibility antigen, D-B alpha chain
B: Beta-2-microglobulin
C: nonameric peptide, gp33 derived from lymphocytic choriomeningitis virus
D: H-2 class I histocompatibility antigen, D-B alpha chain
E: Beta-2-microglobulin
F: nonameric peptide, gp33 derived from lymphocytic choriomeningitis virus
G: H-2 class I histocompatibility antigen, D-B alpha chain
H: Beta-2-microglobulin
I: nonameric peptide, gp33 derived from lymphocytic choriomeningitis virus
J: H-2 class I histocompatibility antigen, D-B alpha chain
K: Beta-2-microglobulin
L: nonameric peptide, gp33 derived from lymphocytic choriomeningitis virus


分子量 (理論値)分子数
合計 (水以外)179,34912
ポリマ-179,34912
非ポリマー00
1,17165
1
A: H-2 class I histocompatibility antigen, D-B alpha chain
B: Beta-2-microglobulin
C: nonameric peptide, gp33 derived from lymphocytic choriomeningitis virus


分子量 (理論値)分子数
合計 (水以外)44,8373
ポリマ-44,8373
非ポリマー00
362
タイプ名称対称操作
identity operation1_555x,y,z1
Buried area4150 Å2
ΔGint-20 kcal/mol
Surface area19730 Å2
手法PISA
2
D: H-2 class I histocompatibility antigen, D-B alpha chain
E: Beta-2-microglobulin
F: nonameric peptide, gp33 derived from lymphocytic choriomeningitis virus


分子量 (理論値)分子数
合計 (水以外)44,8373
ポリマ-44,8373
非ポリマー00
362
タイプ名称対称操作
identity operation1_555x,y,z1
Buried area4460 Å2
ΔGint-18 kcal/mol
Surface area19350 Å2
手法PISA
3
G: H-2 class I histocompatibility antigen, D-B alpha chain
H: Beta-2-microglobulin
I: nonameric peptide, gp33 derived from lymphocytic choriomeningitis virus


分子量 (理論値)分子数
合計 (水以外)44,8373
ポリマ-44,8373
非ポリマー00
362
タイプ名称対称操作
identity operation1_555x,y,z1
Buried area4400 Å2
ΔGint-20 kcal/mol
Surface area19110 Å2
手法PISA
4
J: H-2 class I histocompatibility antigen, D-B alpha chain
K: Beta-2-microglobulin
L: nonameric peptide, gp33 derived from lymphocytic choriomeningitis virus


分子量 (理論値)分子数
合計 (水以外)44,8373
ポリマ-44,8373
非ポリマー00
543
タイプ名称対称操作
identity operation1_555x,y,z1
Buried area4400 Å2
ΔGint-19 kcal/mol
Surface area19100 Å2
手法PISA
単位格子
Length a, b, c (Å)91.998, 122.657, 99.180
Angle α, β, γ (deg.)90.00, 103.34, 90.00
Int Tables number4
Space group name H-MP1211
非結晶学的対称性 (NCS)NCSドメイン:
IDEns-ID詳細
11A
21D
31G
41J
51A
61D
71G
81J
91A
101D
111G
121J
131A
141D
151G
161J
171A
181D
191G
201J
211A
221D
231G
241J
251A
261D
271G
281J
291A
301D
311G
321J
331A
341D
351G
361J
371A
381D
391G
401J
12A
22D
32G
42J
52A
62D
72G
82J
92A
102D
112G
122J
132A
142D
152G
162J
172A
182D
192G
202J
212A
222D
232G
242J
252A
262D
272G
282J
292A
302D
312G
322J
332A
342D
352G
362J
13A
23D
33G
43J
53A
63D
73G
83J
93A
103D
113G
123J
133A
143D
153G
163J
173A
183D
193G
203J
213A
223D
233G
243J
253A
263D
273G
283J
293A
303D
313G
323J
14A
24D
34G
44J
54A
64D
74G
84J
94A
104D
114G
124J
134A
144D
154G
164J
174A
184D
194G
204J
214A
224D
234G
244J
254A
264D
274G
284J
294A
304D
314G
324J
15A
25D
35G
45J
55A
65D
75G
85J
95A
105D
115G
125J
135A
145D
155G
165J
175A
185D
195G
205J
215A
225D
235G
245J
255A
265D
275G
285J
295A
305D
315G
325J
16A
26D
36G
46J
56A
66D
76G
86J
96A
106D
116G
126J
136A
146D
156G
166J
17B
27E
37H
47K
57B
67E
77H
87K
97B
107E
117H
127K
137B
147E
157H
167K
177B
187E
197H
207K
217B
227E
237H
247K
257B
267E
277H
287K
297B
307E
317H
327K
337B
347E
357H
367K
377B
387E
397H
407K
18C
28F
38I
48L

NCSドメイン領域:
Dom-IDComponent-IDEns-IDBeg auth comp-IDBeg label comp-IDEnd auth comp-IDEnd label comp-IDRefine codeAuth asym-IDLabel asym-IDAuth seq-IDLabel seq-ID
111HISHISSERSER1AA3 - 133 - 13
211HISHISSERSER1DD3 - 133 - 13
311HISHISSERSER1GG3 - 133 - 13
411HISHISSERSER1JJ3 - 133 - 13
521PROPROVALVAL1AA20 - 2820 - 28
621PROPROVALVAL1DD20 - 2820 - 28
721PROPROVALVAL1GG20 - 2820 - 28
821PROPROVALVAL1JJ20 - 2820 - 28
931ASPASPASNASN3AA29 - 3029 - 30
1031ASPASPASNASN3DD29 - 3029 - 30
1131ASPASPASNASN3GG29 - 3029 - 30
1231ASPASPASNASN3JJ29 - 3029 - 30
1341LYSLYSALAALA1AA31 - 4031 - 40
1441LYSLYSALAALA1DD31 - 4031 - 40
1541LYSLYSALAALA1GG31 - 4031 - 40
1641LYSLYSALAALA1JJ31 - 4031 - 40
1751GLUGLUGLUGLU3AA4141
1851GLUGLUGLUGLU3DD4141
1951GLUGLUGLUGLU3GG4141
2051GLUGLUGLUGLU3JJ4141
2161ASNASNPROPRO1AA42 - 4342 - 43
2261ASNASNPROPRO1DD42 - 4342 - 43
2361ASNASNPROPRO1GG42 - 4342 - 43
2461ASNASNPROPRO1JJ42 - 4342 - 43
2571ARGARGARGARG3AA4444
2671ARGARGARGARG3DD4444
2771ARGARGARGARG3GG4444
2871ARGARGARGARG3JJ4444
2981TYRTYRMETMET1AA45 - 5245 - 52
3081TYRTYRMETMET1DD45 - 5245 - 52
3181TYRTYRMETMET1GG45 - 5245 - 52
3281TYRTYRMETMET1JJ45 - 5245 - 52
3391GLUGLUGLUGLU3AA5353
3491GLUGLUGLUGLU3DD5353
3591GLUGLUGLUGLU3GG5353
3691GLUGLUGLUGLU3JJ5353
37101GLNGLNPROPRO1AA54 - 5754 - 57
38101GLNGLNPROPRO1DD54 - 5754 - 57
39101GLNGLNPROPRO1GG54 - 5754 - 57
40101GLNGLNPROPRO1JJ54 - 5754 - 57
112GLUGLUGLUGLU3AA5858
212GLUGLUGLUGLU3DD5858
312GLUGLUGLUGLU3GG5858
412GLUGLUGLUGLU3JJ5858
522TYRTYRGLNGLN1AA59 - 6559 - 65
622TYRTYRGLNGLN1DD59 - 6559 - 65
722TYRTYRGLNGLN1GG59 - 6559 - 65
822TYRTYRGLNGLN1JJ59 - 6559 - 65
932LYSLYSLYSLYS3AA6666
1032LYSLYSLYSLYS3DD6666
1132LYSLYSLYSLYS3GG6666
1232LYSLYSLYSLYS3JJ6666
1342ALAALAGLUGLU1AA67 - 7167 - 71
1442ALAALAGLUGLU1DD67 - 7167 - 71
1542ALAALAGLUGLU1GG67 - 7167 - 71
1642ALAALAGLUGLU1JJ67 - 7167 - 71
1752GLNGLNGLNGLN3AA7272
1852GLNGLNGLNGLN3DD7272
1952GLNGLNGLNGLN3GG7272
2052GLNGLNGLNGLN3JJ7272
2162TRPTRPPHEPHE1AA73 - 7473 - 74
2262TRPTRPPHEPHE1DD73 - 7473 - 74
2362TRPTRPPHEPHE1GG73 - 7473 - 74
2462TRPTRPPHEPHE1JJ73 - 7473 - 74
2572ARGARGARGARG3AA7575
2672ARGARGARGARG3DD7575
2772ARGARGARGARG3GG7575
2872ARGARGARGARG3JJ7575
2982VALVALLEULEU1AA76 - 7876 - 78
3082VALVALLEULEU1DD76 - 7876 - 78
3182VALVALLEULEU1GG76 - 7876 - 78
3282VALVALLEULEU1JJ76 - 7876 - 78
3392ARGARGARGARG3AA7979
3492ARGARGARGARG3DD7979
3592ARGARGARGARG3GG7979
3692ARGARGARGARG3JJ7979
113GLYGLYTRPTRP1AA83 - 10783 - 107
213GLYGLYTRPTRP1DD83 - 10783 - 107
313GLYGLYTRPTRP1GG83 - 10783 - 107
413GLYGLYTRPTRP1JJ83 - 10783 - 107
523ARGARGARGARG3AA108108
623ARGARGARGARG3DD108108
723ARGARGARGARG3GG108108
823ARGARGARGARG3JJ108108
933LEULEULEULEU1AA109 - 110109 - 110
1033LEULEULEULEU1DD109 - 110109 - 110
1133LEULEULEULEU1GG109 - 110109 - 110
1233LEULEULEULEU1JJ109 - 110109 - 110
1343ARGARGARGARG3AA111111
1443ARGARGARGARG3DD111111
1543ARGARGARGARG3GG111111
1643ARGARGARGARG3JJ111111
1753GLYGLYALAALA1AA112 - 139112 - 139
1853GLYGLYALAALA1DD112 - 139112 - 139
1953GLYGLYALAALA1GG112 - 139112 - 139
2053GLYGLYALAALA1JJ112 - 139112 - 139
2163ALAALATHRTHR1AA140 - 143140 - 143
2263ALAALATHRTHR1DD140 - 143140 - 143
2363ALAALATHRTHR1GG140 - 143140 - 143
2463ALAALATHRTHR1JJ140 - 143140 - 143
2573ARGARGLYSLYS3AA144 - 146144 - 146
2673ARGARGLYSLYS3DD144 - 146144 - 146
2773ARGARGLYSLYS3GG144 - 146144 - 146
2873ARGARGLYSLYS3JJ144 - 146144 - 146
2983TRPTRPGLUGLU1AA147 - 148147 - 148
3083TRPTRPGLUGLU1DD147 - 148147 - 148
3183TRPTRPGLUGLU1GG147 - 148147 - 148
3283TRPTRPGLUGLU1JJ147 - 148147 - 148
114GLNGLNGLNGLN3AA149149
214GLNGLNGLNGLN3DD149149
314GLNGLNGLNGLN3GG149149
414GLNGLNGLNGLN3JJ149149
524SERSERGLUGLU1AA150 - 154150 - 154
624SERSERGLUGLU1DD150 - 154150 - 154
724SERSERGLUGLU1GG150 - 154150 - 154
824SERSERGLUGLU1JJ150 - 154150 - 154
934HISHISHISHIS3AA155155
1034HISHISHISHIS3DD155155
1134HISHISHISHIS3GG155155
1234HISHISHISHIS3JJ155155
1344TYRTYRVALVAL1AA156 - 165156 - 165
1444TYRTYRVALVAL1DD156 - 165156 - 165
1544TYRTYRVALVAL1GG156 - 165156 - 165
1644TYRTYRVALVAL1JJ156 - 165156 - 165
1754TRPTRPHISHIS1AA167 - 169167 - 169
1854TRPTRPHISHIS1DD167 - 169167 - 169
1954TRPTRPHISHIS1GG167 - 169167 - 169
2054TRPTRPHISHIS1JJ167 - 169167 - 169
2164ARGARGARGARG3AA170170
2264ARGARGARGARG3DD170170
2364ARGARGARGARG3GG170170
2464ARGARGARGARG3JJ170170
2574TYRTYRASNASN1AA171 - 174171 - 174
2674TYRTYRASNASN1DD171 - 174171 - 174
2774TYRTYRASNASN1GG171 - 174171 - 174
2874TYRTYRASNASN1JJ171 - 174171 - 174
2984ASPASPLYSLYS6AA183 - 186183 - 186
3084ASPASPLYSLYS6DD183 - 186183 - 186
3184ASPASPLYSLYS6GG183 - 186183 - 186
3284ASPASPLYSLYS6JJ183 - 186183 - 186
115ALAALAHISHIS1AA187 - 192187 - 192
215ALAALAHISHIS1DD187 - 192187 - 192
315ALAALAHISHIS1GG187 - 192187 - 192
415ALAALAHISHIS1JJ187 - 192187 - 192
525THRTHRGLNGLN1AA200 - 218200 - 218
625THRTHRGLNGLN1DD200 - 218200 - 218
725THRTHRGLNGLN1GG200 - 218200 - 218
825THRTHRGLNGLN1JJ200 - 218200 - 218
935LEULEUGLNGLN1AA224 - 226224 - 226
1035LEULEUGLNGLN1DD224 - 226224 - 226
1135LEULEUGLNGLN1GG224 - 226224 - 226
1235LEULEUGLNGLN1JJ224 - 226224 - 226
1345ASPASPGLUGLU3AA227 - 229227 - 229
1445ASPASPGLUGLU3DD227 - 229227 - 229
1545ASPASPGLUGLU3GG227 - 229227 - 229
1645ASPASPGLUGLU3JJ227 - 229227 - 229
1755LEULEUVALVAL1AA230 - 231230 - 231
1855LEULEUVALVAL1DD230 - 231230 - 231
1955LEULEUVALVAL1GG230 - 231230 - 231
2055LEULEUVALVAL1JJ230 - 231230 - 231
2165GLUGLUGLUGLU3AA232232
2265GLUGLUGLUGLU3DD232232
2365GLUGLUGLUGLU3GG232232
2465GLUGLUGLUGLU3JJ232232
2575THRTHRVALVAL1AA233 - 249233 - 249
2675THRTHRVALVAL1DD233 - 249233 - 249
2775THRTHRVALVAL1GG233 - 249233 - 249
2875THRTHRVALVAL1JJ233 - 249233 - 249
2985TYRTYRCYSCYS1AA257 - 259257 - 259
3085TYRTYRCYSCYS1DD257 - 259257 - 259
3185TYRTYRCYSCYS1GG257 - 259257 - 259
3285TYRTYRCYSCYS1JJ257 - 259257 - 259
116ARGARGARGARG3AA260260
216ARGARGARGARG3DD260260
316ARGARGARGARG3GG260260
416ARGARGARGARG3JJ260260
526VALVALHISHIS1AA261 - 263261 - 263
626VALVALHISHIS1DD261 - 263261 - 263
726VALVALHISHIS1GG261 - 263261 - 263
826VALVALHISHIS1JJ261 - 263261 - 263
936GLUGLUGLUGLU6AA264264
1036GLUGLUGLUGLU6DD264264
1136GLUGLUGLUGLU6GG264264
1236GLUGLUGLUGLU6JJ264264
1346GLYGLYLEULEU1AA265 - 272265 - 272
1446GLYGLYLEULEU1DD265 - 272265 - 272
1546GLYGLYLEULEU1GG265 - 272265 - 272
1646GLYGLYLEULEU1JJ265 - 272265 - 272
117GLNGLNPROPRO1BB2 - 152 - 15
217GLNGLNPROPRO1EE2 - 152 - 15
317GLNGLNPROPRO1HH2 - 152 - 15
417GLNGLNPROPRO1KK2 - 152 - 15
527GLUGLUGLUGLU3BB1616
627GLUGLUGLUGLU3EE1616
727GLUGLUGLUGLU3HH1616
827GLUGLUGLUGLU3KK1616
937ASNASNGLYGLY1BB17 - 1817 - 18
1037ASNASNGLYGLY1EE17 - 1817 - 18
1137ASNASNGLYGLY1HH17 - 1817 - 18
1237ASNASNGLYGLY1KK17 - 1817 - 18
1347LYSLYSLYSLYS3BB1919
1447LYSLYSLYSLYS3EE1919
1547LYSLYSLYSLYS3HH1919
1647LYSLYSLYSLYS3KK1919
1757PROPROPROPRO1BB20 - 4720 - 47
1857PROPROPROPRO1EE20 - 4720 - 47
1957PROPROPROPRO1HH20 - 4720 - 47
2057PROPROPROPRO1KK20 - 4720 - 47
2167LYSLYSLYSLYS3BB4848
2267LYSLYSLYSLYS3EE4848
2367LYSLYSLYSLYS3HH4848
2467LYSLYSLYSLYS3KK4848
2577VALVALSERSER1BB49 - 5749 - 57
2677VALVALSERSER1EE49 - 5749 - 57
2777VALVALSERSER1HH49 - 5749 - 57
2877VALVALSERSER1KK49 - 5749 - 57
2987LYSLYSLYSLYS3BB5858
3087LYSLYSLYSLYS3EE5858
3187LYSLYSLYSLYS3HH5858
3297ASPASPALAALA1KK59 - 8859 - 88
33107GLUGLULYSLYS3BB89 - 9189 - 91
34107GLUGLULYSLYS3EE89 - 9189 - 91
35107GLUGLULYSLYS3HH89 - 9189 - 91
36107GLUGLULYSLYS3KK89 - 9189 - 91
37117THRTHRASPASP1BB92 - 9892 - 98
38117THRTHRASPASP1EE92 - 9892 - 98
39117THRTHRASPASP1HH92 - 9892 - 98
40117THRTHRASPASP1KK92 - 9892 - 98
118LYSLYSMETMET6CC1 - 91 - 9
218LYSLYSMETMET6FF1 - 91 - 9
318LYSLYSMETMET6II1 - 91 - 9
418LYSLYSMETMET6LL1 - 91 - 9

NCSアンサンブル:
ID
1
2
3
4
5
6
7
8

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要素

#1: タンパク質
H-2 class I histocompatibility antigen, D-B alpha chain / H-2DB


分子量: 32087.703 Da / 分子数: 4 / 断片: Extracellular part / 由来タイプ: 組換発現 / 由来: (組換発現) Mus musculus (ハツカネズミ) / 遺伝子: H2-D / 発現宿主: Escherichia coli (大腸菌) / 参照: UniProt: P01899
#2: タンパク質
Beta-2-microglobulin


分子量: 11704.359 Da / 分子数: 4 / 由来タイプ: 組換発現 / 由来: (組換発現) Mus musculus (ハツカネズミ) / 遺伝子: B2M / 発現宿主: Escherichia coli (大腸菌) / 参照: UniProt: P01887
#3: タンパク質・ペプチド
nonameric peptide, gp33 derived from lymphocytic choriomeningitis virus


分子量: 1045.232 Da / 分子数: 4 / Mutation: C9M / 由来タイプ: 合成 / 詳細: THE PEPTIDE WAS CHEMICALLY SYNTHESIZED / 参照: UniProt: Q9QDK7
#4: 水 ChemComp-HOH / water


分子量: 18.015 Da / 分子数: 65 / 由来タイプ: 天然 / : H2O
Has protein modificationY

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実験情報

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実験

実験手法: X線回折 / 使用した結晶の数: 1

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試料調製

結晶マシュー密度: 3.08 Å3/Da / 溶媒含有率: 59.73 %
結晶化温度: 298 K / 手法: 蒸気拡散法, ハンギングドロップ法 / pH: 8.5
詳細: Ammonium sulfate, ethylene glycol, pH 8.5, VAPOR DIFFUSION, HANGING DROP, temperature 298.0K
結晶化
*PLUS
pH: 7
溶液の組成
*PLUS
ID濃度一般名Crystal-IDSol-ID詳細
11.8 Mammonium sulfate1reservoir
20.1 MTris-Cl1reservoirpH8.5
33-4 %ethylene glycol1reservoir
46 mg/mlprotein1drop
520 mMTris-Cl1droppH7.0

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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: MAX II / ビームライン: I711 / 波長: 1.0292 Å
検出器タイプ: MARRESEARCH / 検出器: IMAGE PLATE / 日付: 2000年9月28日
放射モノクロメーター: Si(III) / 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: 1.0292 Å / 相対比: 1
反射解像度: 2.85→20 Å / Num. all: 46560 / Num. obs: 46560 / % possible obs: 92.6 % / Observed criterion σ(F): 0 / Observed criterion σ(I): 0 / 冗長度: 2.9 % / Biso Wilson estimate: 63.9 Å2 / Rsym value: 0.096 / Net I/σ(I): 12
反射 シェル解像度: 2.85→2.9 Å / 冗長度: 2.9 % / Mean I/σ(I) obs: 9.8 / Num. unique all: 2453 / Rsym value: 0.254 / % possible all: 94.4
反射
*PLUS
最低解像度: 20 Å / Num. measured all: 135354 / Rmerge(I) obs: 0.096
反射 シェル
*PLUS
% possible obs: 98 % / Rmerge(I) obs: 0.254

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解析

ソフトウェア
名称バージョン分類
DENZOデータ削減
SCALEPACKデータスケーリング
AMoRE位相決定
REFMAC5精密化
精密化構造決定の手法: 分子置換
開始モデル: PDB ENTRY 1HOC
解像度: 2.85→19.92 Å / Cor.coef. Fo:Fc: 0.868 / Cor.coef. Fo:Fc free: 0.835 / SU B: 16.738 / SU ML: 0.338 / TLS residual ADP flag: LIKELY RESIDUAL / Isotropic thermal model: TLS / 交差検証法: THROUGHOUT / σ(F): 0 / ESU R Free: 0.438
Rfactor反射数%反射Selection details
Rfree0.27861 2277 5 %RANDOM
Rwork0.25128 ---
all0.2526 43227 --
obs0.25264 43227 100 %-
溶媒の処理イオンプローブ半径: 0.8 Å / 減衰半径: 0.8 Å / VDWプローブ半径: 1.4 Å / 溶媒モデル: BABINET MODEL WITH MASK
原子変位パラメータBiso mean: 11.109 Å2
Baniso -1Baniso -2Baniso -3
1--0.34 Å20 Å2-2.6 Å2
2--1.53 Å20 Å2
3----2.39 Å2
精密化ステップサイクル: LAST / 解像度: 2.85→19.92 Å
タンパク質核酸リガンド溶媒全体
原子数12568 0 0 65 12633
拘束条件
Refine-IDタイプDev idealDev ideal target
X-RAY DIFFRACTIONr_bond_refined_d0.0310.02112956
X-RAY DIFFRACTIONr_angle_refined_deg2.2821.9317585
X-RAY DIFFRACTIONr_dihedral_angle_1_deg4.3831515
X-RAY DIFFRACTIONr_dihedral_angle_3_deg22.018152288
X-RAY DIFFRACTIONr_chiral_restr0.1330.21773
X-RAY DIFFRACTIONr_gen_planes_refined0.0090.0210168
X-RAY DIFFRACTIONr_nbd_refined0.310.36353
X-RAY DIFFRACTIONr_xyhbond_nbd_refined0.1790.51223
X-RAY DIFFRACTIONr_symmetry_vdw_refined0.4280.3157
X-RAY DIFFRACTIONr_symmetry_hbond_refined0.3550.516
X-RAY DIFFRACTIONr_mcbond_it0.6721.57633
X-RAY DIFFRACTIONr_mcangle_it1.305212310
X-RAY DIFFRACTIONr_scbond_it1.91235323
X-RAY DIFFRACTIONr_scangle_it3.2984.55275
Refine LS restraints NCS

Refine-ID: X-RAY DIFFRACTION

Ens-IDDom-IDAuth asym-IDタイプRms dev position (Å)Weight position
11A392tight positional0.270.05
12D392tight positional0.240.05
13G392tight positional0.180.05
14J392tight positional0.160.05
21A594tight positional0.380.05
22D594tight positional0.430.05
23G594tight positional0.440.05
24J594tight positional0.360.05
31A1127tight positional0.150.05
32D1127tight positional0.10.05
33G1127tight positional0.110.05
34J1127tight positional0.120.05
41A1366tight positional0.110.05
42D1366tight positional0.120.05
43G1366tight positional0.130.05
44J1366tight positional0.20.05
51A1800tight positional0.150.05
52D1800tight positional0.140.05
53G1800tight positional0.10.05
54J1800tight positional0.090.05
61A1907tight positional0.080.05
62D1907tight positional0.090.05
63G1907tight positional0.060.05
64J1907tight positional0.050.05
71B2711tight positional0.090.05
72E2711tight positional0.050.05
73H2711tight positional0.060.05
74K2711tight positional0.050.05
81C2784tight positional0.060.05
82F2784tight positional0.110.05
83I2784tight positional0.090.05
84L2784tight positional0.070.05
11A21loose positional0.175
12D21loose positional0.155
13G21loose positional0.125
14J21loose positional0.145
21A21loose positional0.095
22D21loose positional0.095
23G21loose positional0.075
24J21loose positional0.085
31A21loose positional0.075
32D21loose positional0.065
33G21loose positional0.065
34J21loose positional0.065
41A21loose positional0.065
42D21loose positional0.065
43G21loose positional0.055
44J21loose positional0.055
51A21loose positional0.055
52D21loose positional0.055
53G21loose positional0.055
54J21loose positional0.055
61A21loose positional0.055
62D21loose positional0.055
63G21loose positional0.055
64J21loose positional0.055
71B21loose positional0.055
72E21loose positional0.055
73H21loose positional0.055
74K21loose positional0.055
81C21loose positional0.055
82F21loose positional0.055
83I21loose positional0.055
84L21loose positional0.055
11A392tight thermal0.130.5
12D392tight thermal0.150.5
13G392tight thermal0.130.5
14J392tight thermal0.140.5
21A594tight thermal1.190.5
22D594tight thermal1.250.5
23G594tight thermal1.160.5
24J594tight thermal1.20.5
31A1127tight thermal2.570.5
32D1127tight thermal2.630.5
33G1127tight thermal2.540.5
34J1127tight thermal2.580.5
41A1366tight thermal3.430.5
42D1366tight thermal3.460.5
43G1366tight thermal3.40.5
44J1366tight thermal3.430.5
51A1800tight thermal3.440.5
52D1800tight thermal3.460.5
53G1800tight thermal3.430.5
54J1800tight thermal3.450.5
61A1907tight thermal3.360.5
62D1907tight thermal3.370.5
63G1907tight thermal3.350.5
64J1907tight thermal3.360.5
71B2711tight thermal2.780.5
72E2711tight thermal2.780.5
73H2711tight thermal2.780.5
74K2711tight thermal2.780.5
81C2784tight thermal2.490.5
82F2784tight thermal2.50.5
83I2784tight thermal2.490.5
84L2784tight thermal2.50.5
11A21loose thermal1.8110
12D21loose thermal1.6110
13G21loose thermal2.9910
14J21loose thermal1.4410
21A21loose thermal23.1810
22D21loose thermal21.8810
23G21loose thermal29.8110
24J21loose thermal20.6610
31A21loose thermal82.9610
32D21loose thermal80.610
33G21loose thermal94.0710
34J21loose thermal78.3210
41A21loose thermal10
42D21loose thermal10
43G21loose thermal10
44J21loose thermal10
51A21loose thermal10
52D21loose thermal10
53G21loose thermal10
54J21loose thermal10
61A21loose thermal10
62D21loose thermal10
63G21loose thermal10
64J21loose thermal10
71B21loose thermal10
72E21loose thermal10
73H21loose thermal10
74K21loose thermal10
81C21loose thermal10
82F21loose thermal10
83I21loose thermal10
84L21loose thermal10
LS精密化 シェル解像度: 2.85→2.922 Å / Total num. of bins used: 20 /
Rfactor反射数
Rfree0.376 146
Rwork0.313 3204
精密化 TLS

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

IDL112)L122)L132)L222)L232)L332)S11 (Å °)S12 (Å °)S13 (Å °)S21 (Å °)S22 (Å °)S23 (Å °)S31 (Å °)S32 (Å °)S33 (Å °)T112)T122)T132)T222)T232)T332)Origin x (Å)Origin y (Å)Origin z (Å)
12.1488-0.33330.64461.46220.41552.12290.06140.1427-0.03990.2995-0.0167-0.27610.14790.4298-0.04460.223-0.07650.10330.34260.01930.4295-5.17-2.96825.896
23.56351.16663.94754.20043.44126.4711-0.13860.08170.1029-0.18150.17180.0838-0.3630.0628-0.03320.1371-0.1050.13430.39450.05410.2561-2.73810.69640.333
325.378-8.11443.82343.9255-0.82020.0960.340.56981.1036-0.7213-0.7229-0.34910.16760.40850.38290.3164-0.04080.2150.52780.23170.2749-13.620.3077.695
40.45730.29660.61831.2213-0.02962.83270.04390.1821-0.08670.11160.021-0.29250.15610.5144-0.06490.1869-0.01270.10620.3651-0.05320.384430.99856.24874.911
52.191.48962.92574.4332.53617.1749-0.05480.17820.08740.09620.1636-0.2534-0.53360.5734-0.10870.2381-0.0830.180.3858-0.04320.235234.64869.62789.321
633.3649-8.2713.37037.84240.13792.6091-0.04962.03981.2777-0.6834-0.1241-0.23880.25980.51790.17360.2713-0.13220.14460.43640.07250.144223.71760.86356.799
73.49120.1215-0.91273.10110.39472.41690.09210.07440.2563-0.32440.0307-0.6531-0.0170.541-0.12280.2160.08190.09850.3938-0.00430.3877-3.44286.65624.481
86.0463-2.1595-5.49382.40633.92147.13990.09120.1537-0.45650.03870.0896-0.1390.25680.0279-0.18090.31580.12280.03870.3999-0.01630.39531.79672.41811.182
93.535110.0436-8.6648.03770.0954-5.12871.0758-3.089-1.71380.6893-1.2002-0.6922-0.0140.93040.12440.2922-0.0053-0.06910.61490.12330.2693-12.7283.05841.658
102.78110.7006-0.68252.51040.26811.4335-0.0720.0208-0.01250.08140.2465-0.6373-0.03090.3131-0.17440.23240.1308-0.00770.2832-0.08850.389529.26523.18372.776
114.1758-1.6838-4.16731.61861.65856.2953-0.17260.0461-0.13380.16590.2403-0.27940.51390.1414-0.06770.22450.07920.04730.3626-0.09070.31233.3929.56558.822
1250.474722.7172-8.17969.54660.1284-6.78311.1061-2.8336-1.72151.6552-0.6715-0.2798-0.13860.4534-0.43450.6060.187-0.02110.40270.11260.207219.68119.14789.807
精密化 TLSグループ
IDRefine-IDRefine TLS-IDAuth asym-IDLabel asym-IDAuth seq-IDLabel seq-ID
1X-RAY DIFFRACTION1AA2 - 1822 - 182
2X-RAY DIFFRACTION1AA183 - 273183 - 273
3X-RAY DIFFRACTION2BB1 - 981 - 98
4X-RAY DIFFRACTION3CC1 - 91 - 9
5X-RAY DIFFRACTION4DD2 - 1822 - 182
6X-RAY DIFFRACTION4DD183 - 273183 - 273
7X-RAY DIFFRACTION5EE1 - 981 - 98
8X-RAY DIFFRACTION6FF1 - 91 - 9
9X-RAY DIFFRACTION7GG2 - 1822 - 182
10X-RAY DIFFRACTION7GG183 - 273183 - 273
11X-RAY DIFFRACTION8HH1 - 981 - 98
12X-RAY DIFFRACTION9II1 - 91 - 9
13X-RAY DIFFRACTION10JJ2 - 1822 - 182
14X-RAY DIFFRACTION10JJ183 - 273183 - 273
15X-RAY DIFFRACTION11KK1 - 981 - 98
16X-RAY DIFFRACTION12LL1 - 91 - 9
精密化
*PLUS
Rfactor Rfree: 0.279 / Rfactor Rwork: 0.241 / 最低解像度: 20 Å
溶媒の処理
*PLUS
原子変位パラメータ
*PLUS
拘束条件
*PLUS
Refine-IDタイプDev ideal
X-RAY DIFFRACTIONr_bond_d0.019
X-RAY DIFFRACTIONr_angle_d
X-RAY DIFFRACTIONr_angle_deg1.92

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万見について

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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

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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

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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。
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万見 (Yorodumi)

幾万の構造データを、幾万の視点から

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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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