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- PDB-5m45: Structure of Acetone Carboxylase purified from Xanthobacter autot... -

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基本情報

登録情報
データベース: PDB / ID: 5m45
タイトルStructure of Acetone Carboxylase purified from Xanthobacter autotrophicus
要素(Acetone carboxylase ...) x 3
キーワードLIGASE / carboxylation
機能・相同性
機能・相同性情報


acetone carboxylase / acetone carboxylase activity / cellular detoxification of acetone / 5-oxoprolinase (ATP-hydrolyzing) activity / glutathione metabolic process / ATP binding / cytosol
類似検索 - 分子機能
Oxoprolinase family / : / Acetophenone carboxylase beta subunit/Acetone carboxylase gamma subunit / Acetone carboxylase gamma subunit / Hydantoinase B/oxoprolinase / Hydantoinase/oxoprolinase, N-terminal / Hydantoinase B/oxoprolinase / Hydantoinase/oxoprolinase N-terminal region / Hydantoinase/oxoprolinase C-terminal domain / Hydantoinase A/oxoprolinase ...Oxoprolinase family / : / Acetophenone carboxylase beta subunit/Acetone carboxylase gamma subunit / Acetone carboxylase gamma subunit / Hydantoinase B/oxoprolinase / Hydantoinase/oxoprolinase, N-terminal / Hydantoinase B/oxoprolinase / Hydantoinase/oxoprolinase N-terminal region / Hydantoinase/oxoprolinase C-terminal domain / Hydantoinase A/oxoprolinase / Hydantoinase/oxoprolinase / ATPase, nucleotide binding domain
類似検索 - ドメイン・相同性
ACETATE ION / 3,6,9,12,15-PENTAOXAHEPTADECAN-1-OL / ADENOSINE MONOPHOSPHATE / : / Acetone carboxylase gamma subunit / Acetone carboxylase alpha subunit / Acetone carboxylase beta subunit
類似検索 - 構成要素
生物種Xanthobacter autotrophicus Py2 (バクテリア)
手法X線回折 / シンクロトロン / 分子置換 / 解像度: 1.87 Å
データ登録者Kabasakal, B.V. / Wells, J.N. / Nwaobi, B.C. / Eilers, B.J. / Peters, J.W. / Murray, J.W.
引用ジャーナル: Sci Rep / : 2017
タイトル: Structural Basis for the Mechanism of ATP-Dependent Acetone Carboxylation.
著者: Mus, F. / Eilers, B.J. / Alleman, A.B. / Kabasakal, B.V. / Wells, J.N. / Murray, J.W. / Nocek, B.P. / DuBois, J.L. / Peters, J.W.
履歴
登録2016年10月18日登録サイト: PDBE / 処理サイト: PDBE
改定 1.02017年8月9日Provider: repository / タイプ: Initial release
改定 1.12017年8月16日Group: Database references / カテゴリ: citation / citation_author
Item: _citation.page_first / _citation.page_last ..._citation.page_first / _citation.page_last / _citation.pdbx_database_id_PubMed / _citation.title / _citation_author.name
改定 1.22024年1月17日Group: Data collection / Database references ...Data collection / Database references / Derived calculations / Refinement description
カテゴリ: chem_comp_atom / chem_comp_bond ...chem_comp_atom / chem_comp_bond / database_2 / pdbx_initial_refinement_model / pdbx_struct_conn_angle / struct_conn / struct_ncs_dom_lim
Item: _database_2.pdbx_DOI / _database_2.pdbx_database_accession ..._database_2.pdbx_DOI / _database_2.pdbx_database_accession / _pdbx_struct_conn_angle.ptnr1_auth_asym_id / _pdbx_struct_conn_angle.ptnr1_auth_comp_id / _pdbx_struct_conn_angle.ptnr1_auth_seq_id / _pdbx_struct_conn_angle.ptnr1_label_asym_id / _pdbx_struct_conn_angle.ptnr1_label_atom_id / _pdbx_struct_conn_angle.ptnr1_label_comp_id / _pdbx_struct_conn_angle.ptnr1_label_seq_id / _pdbx_struct_conn_angle.ptnr1_symmetry / _pdbx_struct_conn_angle.ptnr2_auth_asym_id / _pdbx_struct_conn_angle.ptnr2_auth_comp_id / _pdbx_struct_conn_angle.ptnr2_auth_seq_id / _pdbx_struct_conn_angle.ptnr2_label_asym_id / _pdbx_struct_conn_angle.ptnr2_label_atom_id / _pdbx_struct_conn_angle.ptnr2_label_comp_id / _pdbx_struct_conn_angle.ptnr3_auth_asym_id / _pdbx_struct_conn_angle.ptnr3_auth_comp_id / _pdbx_struct_conn_angle.ptnr3_auth_seq_id / _pdbx_struct_conn_angle.ptnr3_label_asym_id / _pdbx_struct_conn_angle.ptnr3_label_atom_id / _pdbx_struct_conn_angle.ptnr3_label_comp_id / _pdbx_struct_conn_angle.ptnr3_label_seq_id / _pdbx_struct_conn_angle.ptnr3_symmetry / _pdbx_struct_conn_angle.value / _struct_conn.pdbx_dist_value / _struct_conn.ptnr1_auth_asym_id / _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.ptnr1_symmetry / _struct_conn.ptnr2_auth_asym_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_conn.ptnr2_symmetry / _struct_ncs_dom_lim.beg_auth_comp_id / _struct_ncs_dom_lim.beg_label_asym_id / _struct_ncs_dom_lim.beg_label_comp_id / _struct_ncs_dom_lim.beg_label_seq_id / _struct_ncs_dom_lim.end_auth_comp_id / _struct_ncs_dom_lim.end_label_asym_id / _struct_ncs_dom_lim.end_label_comp_id / _struct_ncs_dom_lim.end_label_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: Acetone carboxylase alpha subunit
B: Acetone carboxylase beta subunit
C: Acetone carboxylase gamma subunit
D: Acetone carboxylase alpha subunit
E: Acetone carboxylase beta subunit
F: Acetone carboxylase gamma subunit
G: Acetone carboxylase alpha subunit
H: Acetone carboxylase beta subunit
I: Acetone carboxylase gamma subunit
J: Acetone carboxylase alpha subunit
K: Acetone carboxylase beta subunit
L: Acetone carboxylase gamma subunit
ヘテロ分子


分子量 (理論値)分子数
合計 (水以外)744,03564
ポリマ-739,80812
非ポリマー4,22752
81,2664511
1
A: Acetone carboxylase alpha subunit
B: Acetone carboxylase beta subunit
C: Acetone carboxylase gamma subunit
D: Acetone carboxylase alpha subunit
E: Acetone carboxylase beta subunit
F: Acetone carboxylase gamma subunit
ヘテロ分子


分子量 (理論値)分子数
合計 (水以外)372,01832
ポリマ-369,9046
非ポリマー2,11426
1086
タイプ名称対称操作
identity operation1_555x,y,z1
Buried area41880 Å2
ΔGint-317 kcal/mol
Surface area100960 Å2
手法PISA
2
G: Acetone carboxylase alpha subunit
H: Acetone carboxylase beta subunit
I: Acetone carboxylase gamma subunit
J: Acetone carboxylase alpha subunit
K: Acetone carboxylase beta subunit
L: Acetone carboxylase gamma subunit
ヘテロ分子


分子量 (理論値)分子数
合計 (水以外)372,01832
ポリマ-369,9046
非ポリマー2,11426
1086
タイプ名称対称操作
identity operation1_555x,y,z1
Buried area41820 Å2
ΔGint-312 kcal/mol
Surface area100930 Å2
手法PISA
単位格子
Length a, b, c (Å)86.915, 139.733, 165.827
Angle α, β, γ (deg.)65.89, 86.54, 88.69
Int Tables number1
Space group name H-MP1
非結晶学的対称性 (NCS)NCSドメイン:
IDEns-ID詳細
11A
21D
12A
22G
13A
23J
14B
24E
15B
25H
16B
26K
17C
27F
18C
28I
19C
29L
110D
210G
111D
211J
112E
212H
113E
213K
114F
214I
115F
215L
116G
216J
117H
217K
118I
218L

NCSドメイン領域:

Component-ID: _ / Refine code: _

Dom-IDEns-IDBeg auth comp-IDBeg label comp-IDEnd auth comp-IDEnd label comp-IDAuth asym-IDLabel asym-IDAuth seq-IDLabel seq-ID
11ARGARGGLUGLUAA15 - 77615 - 776
21ARGARGGLUGLUDD15 - 77615 - 776
12ARGARGGLUGLUAA15 - 77615 - 776
22ARGARGGLUGLUGG15 - 77615 - 776
13ARGARGGLUGLUAA15 - 77615 - 776
23ARGARGGLUGLUJJ15 - 77615 - 776
14ARGARGVALVALBB9 - 7179 - 717
24ARGARGVALVALEE9 - 7179 - 717
15ARGARGVALVALBB9 - 7179 - 717
25ARGARGVALVALHH9 - 7179 - 717
16ARGARGVALVALBB9 - 7179 - 717
26ARGARGVALVALKK9 - 7179 - 717
17ALAALAALAALACC2 - 1662 - 166
27ALAALAALAALAFF2 - 1662 - 166
18ALAALAALAALACC2 - 1662 - 166
28ALAALAALAALAII2 - 1662 - 166
19ALAALAALAALACC2 - 1662 - 166
29ALAALAALAALALL2 - 1662 - 166
110ARGARGGLUGLUDD15 - 77615 - 776
210ARGARGGLUGLUGG15 - 77615 - 776
111ARGARGGLUGLUDD15 - 77615 - 776
211ARGARGGLUGLUJJ15 - 77615 - 776
112ARGARGVALVALEE9 - 7179 - 717
212ARGARGVALVALHH9 - 7179 - 717
113ARGARGVALVALEE9 - 7179 - 717
213ARGARGVALVALKK9 - 7179 - 717
114ALAALAALAALAFF2 - 1662 - 166
214ALAALAALAALAII2 - 1662 - 166
115ALAALAALAALAFF2 - 1662 - 166
215ALAALAALAALALL2 - 1662 - 166
116ARGARGGLUGLUGG15 - 77615 - 776
216ARGARGGLUGLUJJ15 - 77615 - 776
117ARGARGVALVALHH9 - 7179 - 717
217ARGARGVALVALKK9 - 7179 - 717
118ALAALAALAALAII2 - 1662 - 166
218ALAALAALAALALL2 - 1662 - 166

NCSアンサンブル:
ID
1
2
3
4
5
6
7
8
9
10
11
12
13
14
15
16
17
18

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要素

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Acetone carboxylase ... , 3種, 12分子 ADGJBEHKCFIL

#1: タンパク質
Acetone carboxylase alpha subunit


分子量: 86512.305 Da / 分子数: 4 / 由来タイプ: 天然
由来: (天然) Xanthobacter autotrophicus Py2 (バクテリア)
参照: UniProt: Q8RM03, acetone carboxylase
#2: タンパク質
Acetone carboxylase beta subunit


分子量: 78589.867 Da / 分子数: 4 / 由来タイプ: 天然
由来: (天然) Xanthobacter autotrophicus Py2 (バクテリア)
参照: UniProt: Q8RM04, acetone carboxylase
#3: タンパク質
Acetone carboxylase gamma subunit


分子量: 19849.793 Da / 分子数: 4 / 由来タイプ: 天然
由来: (天然) Xanthobacter autotrophicus Py2 (バクテリア)
参照: UniProt: Q8RM02, acetone carboxylase

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非ポリマー , 7種, 4563分子

#4: 化合物
ChemComp-MN / MANGANESE (II) ION


分子量: 54.938 Da / 分子数: 4 / 由来タイプ: 合成 / : Mn
#5: 化合物
ChemComp-ACT / ACETATE ION / 酢酸イオン


分子量: 59.044 Da / 分子数: 12 / 由来タイプ: 合成 / : C2H3O2
#6: 化合物
ChemComp-AE4 / 3,6,9,12,15-PENTAOXAHEPTADECAN-1-OL / 3,6,9,12,15-ペンタオキサヘプタデカン-1-オ-ル


分子量: 266.331 Da / 分子数: 4 / 由来タイプ: 合成 / : C12H26O6
#7: 化合物...
ChemComp-MG / MAGNESIUM ION / マグネシウムジカチオン


分子量: 24.305 Da / 分子数: 24 / 由来タイプ: 合成 / : Mg
#8: 化合物
ChemComp-AMP / ADENOSINE MONOPHOSPHATE / AMP


分子量: 347.221 Da / 分子数: 4 / 由来タイプ: 合成 / : C10H14N5O7P / コメント: AMP*YM
#9: 化合物
ChemComp-ZN / ZINC ION


分子量: 65.409 Da / 分子数: 4 / 由来タイプ: 合成 / : Zn
#10: 水 ChemComp-HOH / water


分子量: 18.015 Da / 分子数: 4511 / 由来タイプ: 天然 / : H2O

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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: 2.45 Å3/Da / 溶媒含有率: 50 %
結晶化温度: 290 K / 手法: 蒸気拡散法, ハンギングドロップ法 / pH: 7.5 / 詳細: 300 mM Calcium acetate, 30% (w/v) PEG3350

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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: Diamond / ビームライン: I04-1 / 波長: 0.92821 Å
検出器タイプ: DECTRIS PILATUS 6M-F / 検出器: PIXEL / 日付: 2016年7月17日
放射プロトコル: SINGLE WAVELENGTH / 単色(M)・ラウエ(L): M / 散乱光タイプ: x-ray
放射波長波長: 0.92821 Å / 相対比: 1
反射解像度: 1.87→126.06 Å / Num. obs: 1990913 / % possible obs: 97.8 % / Observed criterion σ(F): 0 / Observed criterion σ(I): 0 / 冗長度: 3.5 % / CC1/2: 0.984 / Rmerge(I) obs: 0.114 / Net I/av σ(I): 4.4 / Net I/σ(I): 7
反射 シェル解像度: 1.87→1.9 Å / 冗長度: 3.2 % / Rmerge(I) obs: 0.887 / Mean I/σ(I) obs: 1.2 / CC1/2: 0.528 / % possible all: 96.8

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解析

ソフトウェア
名称バージョン分類
REFMAC5.8.0155精密化
DIALSデータ削減
xia2データスケーリング
PHASER位相決定
精密化構造決定の手法: 分子置換
開始モデル: 5SVC
解像度: 1.87→126.06 Å / Cor.coef. Fo:Fc: 0.951 / Cor.coef. Fo:Fc free: 0.935 / SU B: 7.704 / SU ML: 0.11 / 交差検証法: THROUGHOUT / ESU R: 0.154 / ESU R Free: 0.134 / 詳細: HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS
Rfactor反射数%反射Selection details
Rfree0.21694 27977 4.9 %RANDOM
Rwork0.19169 ---
obs0.19291 544134 97.34 %-
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: 1.2 Å
原子変位パラメータBiso mean: 20.5 Å2
Baniso -1Baniso -2Baniso -3
1--0.25 Å20.08 Å20.17 Å2
2---0.2 Å2-0.29 Å2
3---0.15 Å2
精密化ステップサイクル: 1 / 解像度: 1.87→126.06 Å
タンパク質核酸リガンド溶媒全体
原子数51312 0 244 4511 56067
拘束条件
Refine-IDタイプDev idealDev ideal target
X-RAY DIFFRACTIONr_bond_refined_d0.0140.01952780
X-RAY DIFFRACTIONr_bond_other_d0.0020.0249176
X-RAY DIFFRACTIONr_angle_refined_deg1.5881.94971560
X-RAY DIFFRACTIONr_angle_other_deg1.013113096
X-RAY DIFFRACTIONr_dihedral_angle_1_deg6.14456532
X-RAY DIFFRACTIONr_dihedral_angle_2_deg35.58923.432472
X-RAY DIFFRACTIONr_dihedral_angle_3_deg13.768158588
X-RAY DIFFRACTIONr_dihedral_angle_4_deg18.55415412
X-RAY DIFFRACTIONr_chiral_restr0.0940.27608
X-RAY DIFFRACTIONr_gen_planes_refined0.0070.02160128
X-RAY DIFFRACTIONr_gen_planes_other0.0010.0212392
X-RAY DIFFRACTIONr_nbd_refined
X-RAY DIFFRACTIONr_nbd_other
X-RAY DIFFRACTIONr_nbtor_refined
X-RAY DIFFRACTIONr_nbtor_other
X-RAY DIFFRACTIONr_xyhbond_nbd_refined
X-RAY DIFFRACTIONr_xyhbond_nbd_other
X-RAY DIFFRACTIONr_metal_ion_refined
X-RAY DIFFRACTIONr_metal_ion_other
X-RAY DIFFRACTIONr_symmetry_vdw_refined
X-RAY DIFFRACTIONr_symmetry_vdw_other
X-RAY DIFFRACTIONr_symmetry_hbond_refined
X-RAY DIFFRACTIONr_symmetry_hbond_other
X-RAY DIFFRACTIONr_symmetry_metal_ion_refined
X-RAY DIFFRACTIONr_symmetry_metal_ion_other
X-RAY DIFFRACTIONr_mcbond_it0.611.13226176
X-RAY DIFFRACTIONr_mcbond_other0.611.13226175
X-RAY DIFFRACTIONr_mcangle_it1.0271.69432684
X-RAY DIFFRACTIONr_mcangle_other1.0271.69432685
X-RAY DIFFRACTIONr_scbond_it0.9921.25626604
X-RAY DIFFRACTIONr_scbond_other0.9921.25626605
X-RAY DIFFRACTIONr_scangle_it
X-RAY DIFFRACTIONr_scangle_other1.6221.83438877
X-RAY DIFFRACTIONr_long_range_B_refined3.95113.80458007
X-RAY DIFFRACTIONr_long_range_B_other3.94713.7957982
X-RAY DIFFRACTIONr_rigid_bond_restr
X-RAY DIFFRACTIONr_sphericity_free
X-RAY DIFFRACTIONr_sphericity_bonded
Refine LS restraints NCS

Refine-ID: X-RAY DIFFRACTION / タイプ: interatomic distance / Weight position: 0.05

Ens-IDDom-IDAuth asym-IDRms dev position (Å)
11A504220.04
12D504220.04
21A505180.04
22G505180.04
31A506480.03
32J506480.03
41B444720.05
42E444720.05
51B442140.06
52H442140.06
61B444180.05
62K444180.05
71C105440.04
72F105440.04
81C104960.06
82I104960.06
91C105460.04
92L105460.04
101D505640.04
102G505640.04
111D505320.04
112J505320.04
121E443840.05
122H443840.05
131E443740.05
132K443740.05
141F104840.05
142I104840.05
151F105000.05
152L105000.05
161G505260.04
162J505260.04
171H441940.06
172K441940.06
181I105040.05
182L105040.05
LS精密化 シェル解像度: 1.87→1.919 Å / Total num. of bins used: 20
Rfactor反射数%反射
Rfree0.341 2084 -
Rwork0.339 39628 -
obs--95.92 %
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)
11.04970.9341-0.20182.0836-0.13110.6571-0.0227-0.0324-0.09860.0763-0.0138-0.34620.0490.17770.03650.06130.0393-0.04080.10140.00330.0778-19.883-78.87163.552
20.1109-0.00060.02790.2994-0.07160.2247-0.0004-0.01720.00090.0428-0.0155-0.00130.0080.00230.0160.06990.0080.00080.0733-0.0240.0684-36.928-67.70656.356
30.20250.02130.01460.22140.01340.1893-0.02260.01220.0063-0.02130.00840.00980.0272-0.02810.01420.06280.00340.00640.0688-0.02640.0667-44.147-73.64430.734
40.85490.4832-0.04240.8060.22930.5909-0.11840.1616-0.0167-0.11870.08780.01030.0427-0.02750.03050.0710.00110.00060.0668-0.02560.0223-38.597-86.39312.394
50.40450.12580.13120.7630.54871.1028-0.03990.0363-0.0182-0.01960.0515-0.12010.04860.111-0.01160.01990.01620.02080.0591-0.02040.0836-17.527-68.10426.956
60.31390.0134-0.01790.3246-0.27740.4501-0.0193-0.04790.0154-0.02110.06450.09480.0559-0.154-0.04520.0124-0.02240.0080.1053-0.03250.0722-75.485-84.20449.792
71.19140.0180.72250.8244-0.40472.4262-0.0249-0.12580.15550.13690.06120.1293-0.1888-0.3169-0.03620.04630.0060.03810.1658-0.02780.0592-75.159-84.48266.467
80.2754-0.31030.02850.6188-0.28760.2665-0.0379-0.0492-0.02450.032-0.00160.01410.03050.00410.03960.0876-0.02780.02460.136-0.03650.0833-61.105-87.28360.057
90.3320.0042-0.00430.60480.05030.220.0001-0.0488-0.0829-0.0134-0.00810.01580.079-0.11140.0080.0351-0.03020.00030.09350.00170.026-65.137-94.80660.288
100.5230.215-0.38460.4259-0.46160.6957-0.0681-0.10020.12460.06810.10090.002-0.0149-0.0982-0.03280.07830.05160.00690.1953-0.06510.0732-65.615-64.84970.641
111.262-0.259-0.24951.02150.87442.68920.0566-0.2648-0.20370.05620.0053-0.10830.3186-0.0307-0.0620.0969-0.0377-0.02340.07180.06420.0771-57.155-111.31875.067
122.7910.61470.76864.41711.59593.25150.1171-0.1595-0.19350.1221-0.02980.21040.1394-0.3292-0.08730.069-0.01530.03690.04190.030.116-45.178-103.59241.547
131.73850.1419-1.58872.09141.79646.79770.0126-0.0609-0.17060.0679-0.02990.12360.2891-0.05980.01730.10240.0135-0.01590.0138-0.00460.1096-33.834-109.54831.501
141.40920.53730.5382.0793-0.35652.56680.04460.1632-0.1961-0.1644-0.0849-0.05520.16670.15490.04020.10830.04280.02390.05-0.04240.1004-26.32-103.98521.032
150.8595-0.33210.21411.03190.09970.51560.02160.0949-0.01-0.1775-0.0429-0.02920.006-0.00790.02130.09810.00050.00950.0872-0.02830.0329-41.623-79.89712.531
160.3064-0.25620.22670.2418-0.15270.4784-0.00230.01950.0063-0.0252-0.0108-0.05680.03850.02930.01310.12860.00470.03390.0949-0.03080.1386-31.147-89.59518.578
172.9673-2.7401-2.35875.14816.63979.48730.0852-0.0682-0.0738-0.00940.2312-0.1670.03210.3434-0.31640.10240.0213-0.02510.02410.01230.1281-20.91-106.55936.678
181.91291.27940.09833.0529-0.92170.51820.1091-0.1580.23030.4034-0.04050.4534-0.1074-0.1251-0.06860.16720.01310.06120.1625-0.09290.1157-41.622-20.56968.172
190.20520.0930.01930.48140.00250.17110.0049-0.0211-0.00710.0467-0.0238-0.01030.0007-0.01020.01890.05980.009-0.01530.0804-0.02830.0715-28.976-34.34553.337
200.2604-0.04530.09640.43290.01770.9439-0.0489-0.03520.0220.16480.0185-0.05720.0102-0.00750.03050.0736-0.003-0.02730.061-0.03530.0739-27.523-23.89459.266
210.1689-0.02160.02190.1101-0.04410.1390.00170.00330.0084-0.0103-0.01250.0004-0.01220.00060.01090.0560.0161-0.01260.0715-0.03130.0892-32.536-26.43730.13
220.222-0.25710.02471.94240.06170.2085-0.01790.00950.0292-0.0377-0.004-0.0644-0.00270.01760.0220.03850.014-0.00970.0755-0.02120.0694-25.635-17.54217.9
230.31330.0852-0.25670.2655-0.1530.32630.00720.04880.0054-0.03860.00330.03590.0039-0.0228-0.01050.02980.0302-0.02450.0722-0.01750.0598-43.654-12.1213.883
240.3242-0.20820.29410.4291-0.41451.0976-0.0151-0.0265-0.01310.02640.04080.1314-0.0075-0.1121-0.02580.00640.0158-0.00070.0683-0.02860.1076-57.592-30.90334.87
250.17220.03830.05910.14110.09570.4043-0.01320.02270.0062-0.0173-0.0004-0.0405-0.03320.10530.01370.01450.0041-0.02090.08150.00240.08314.377-14.50434.41
260.6610.180.46110.68250.18011.6667-0.03590.0893-0.07820.059-0.0235-0.08550.08060.25430.05940.0450.0106-0.03120.1221-0.00150.090810.355-14.18949.866
270.1799-0.0611-0.06380.57860.58660.8199-0.0402-0.01520.02760.1043-0.011-0.03710.05710.05920.05110.04010.0007-0.03890.0744-0.01680.089-4.958-11.64849.283
280.3567-0.03630.07440.22640.05670.1649-0.02470.06040.0618-0.0473-0.00860.0316-0.0630.080.03330.0427-0.0112-0.03130.0708-0.01960.0696-1.244-3.90247.682
291.32260.92070.41680.71040.20720.36710.0240.0076-0.13540.03820.0114-0.08810.04930.0841-0.03540.06040.0632-0.02480.1015-0.03050.07113.519-33.92756.459
301.3939-0.4570.72470.5757-0.29311.9069-0.0796-0.17410.16590.1350.00220.0528-0.22830.03550.07740.1006-0.0127-0.03220.0465-0.05310.1221-3.31412.39864.919
315.1719-0.0586-0.60364.8588-0.28997.55720.08950.05240.3096-0.04110.0594-0.085-0.38760.0896-0.14890.0547-0.0220.00370.026-0.03390.1276-27.57.93235.414
323.5846-2.9741-2.96184.29840.25245.1118-0.0236-0.16890.00480.1033-0.095-0.0868-0.10790.42120.11860.0758-0.0299-0.0480.0798-0.03430.1204-25.5760.13442.821
333.0439-1.15212.18562.1886-1.31934.7413-0.0038-0.00270.05920.08340.0471-0.069-0.20640.0346-0.04330.07610.02180.00740.0225-0.03290.0861-40.92310.56333.73
345.3758-2.4007-4.89034.76812.74284.5406-0.0101-0.01620.0702-0.09860.06-0.1207-0.02390.0058-0.04990.08230.0526-0.03650.0806-0.04630.1211-45.7514.64428.173
355.2953-3.1458-1.48884.22350.80344.06680.13220.4320.5244-0.213-0.10110.1495-0.4336-0.5404-0.03110.13160.0557-0.03470.11060.01990.2292-54.55211.72828.559
361.27790.8783-0.07963.5004-0.36795.27520.02150.06260.1759-0.09110.03550.23260.139-0.2546-0.05690.04740.039-0.01780.0633-0.00860.1291-53.1740.64424.543
375.9925-4.3538-1.25426.53411.45470.35110.07760.2535-0.0157-0.1818-0.11640.2257-0.035-0.05250.03880.09150.018-0.04720.1305-0.01650.0327-43.641-14.710.462
382.3370.4733-0.82081.4551-0.91790.7698-0.02590.10950.1766-0.07980.05650.11620.0464-0.05-0.03060.08120.032-0.0320.0972-0.02660.1179-38.002-22.64414.799
391.60421.0816-0.66083.7622-1.87443.30490.0096-0.04790.00980.0823-0.02110.0535-0.0771-0.0270.01140.03960.0363-0.02450.0752-0.0150.1116-45.233-5.56718.001
400.25140.0830.0130.159-0.05510.02770.01950.04430.07590.09080.01530.1098-0.03510.0002-0.03480.11670.03410.00030.1168-0.0320.1585-51.451-13.11427.054
415.0225-5.38963.4697.0698-5.84236.0307-0.0411-0.0273-0.02750.33360.14680.1115-0.3764-0.1846-0.10570.17740.05110.05280.0489-0.04240.1164-51.0377.4743.255
421.4264-0.68380.37571.93590.53840.63490.02120.10690.0893-0.2250.0126-0.2985-0.04920.1572-0.03380.08040.01010.04710.06690.02070.0618-14.901-92.4188.166
430.1975-0.0382-0.01040.257-0.0680.30710.00580.0218-0.0026-0.0298-0.0281-0.00630.0023-0.01810.02220.06270.03220.0040.0744-0.04330.0813-28.085-105.734102.933
440.2501-0.15950.12070.1673-0.12610.9241-0.0140.02740.0314-0.0503-0.0093-0.00620.0512-0.01290.02330.08780.038-0.01050.0872-0.02780.0929-29.121-95.15297.168
450.1632-0.0451-0.00010.1813-0.05920.1961-0.0114-0.01080.03470.0174-0.0394-0.0672-0.00810.01640.05080.04530.0221-0.00980.0574-0.03330.1148-11.6-97.608120.858
460.19190.0130.0440.1745-0.01330.18130.0084-0.02040.01440.0371-0.0209-0.0013-0.0099-0.0210.01250.05190.0209-0.00720.0689-0.04460.0901-28.711-99.09128.517
470.3782-0.2085-0.20270.36250.15110.2588-0.0372-0.03840.02980.04560.0252-0.0208-0.00430.00050.0120.03830.0202-0.02580.0532-0.04620.0753-17.631-83.556141.486
480.47040.34030.25630.51740.27840.735-0.01860.0168-0.0093-0.04110.0149-0.125-0.0170.07370.00370.01320.02060.00660.0679-0.03790.12170.776-103.885121.192
492.3676-0.29560.04862.90611.20074.07630.12910.14820.0204-0.124-0.11540.3369-0.3233-0.2385-0.01370.0690.0921-0.04460.1514-0.06040.1507-72.833-71.472102.893
500.23650.0131-0.01520.3238-0.04360.16820.0022-0.03250.0270.0483-0.03470.0855-0.0419-0.05640.03250.02790.035-0.01010.0988-0.07780.0872-57.51-88.335126.794
510.7936-0.16770.58590.7959-0.30260.74980.0242-0.044-0.1608-0.0672-0.06180.2130.0204-0.05460.03760.08830.0677-0.07210.1511-0.10260.2517-66.448-84.667106.693
520.7213-0.1647-0.12150.9477-0.00650.28740.06230.03690.0988-0.0109-0.10340.0631-0.0719-0.06880.04110.05870.0591-0.03610.072-0.05030.0617-51.598-66.247112.839
530.67550.0582-0.19861.042-0.09520.15990.00660.045-0.0995-0.0259-0.05320.0641-0.0413-0.1170.04660.02370.0543-0.02770.1346-0.05330.0677-56.231-86.944103.979
541.3174-1.01820.17371.2639-0.11940.4478-0.04040.1123-0.2225-0.0633-0.09730.24720.0545-0.13630.13770.0563-0.008-0.02450.1788-0.11010.1753-60.445-104.65899.844
551.26940.2320.77530.92570.72613.05270.08080.34540.1678-0.1138-0.066-0.0704-0.3247-0.096-0.01480.13920.1358-0.00540.1920.02910.0724-52.425-58.39991.783
562.80920.4244-0.5113.25490.67973.7553-0.04560.09810.147-0.114-0.02110.2035-0.2778-0.20620.06670.0770.0554-0.01070.04740.01080.1637-28.607-66.884118.215
573.60052.97731.15415.28984.60085.7378-0.03370.09520.2208-0.1785-0.02270.0842-0.3437-0.15820.05640.08440.0404-0.02440.0232-0.00480.179-17.538-61.803120.513
583.2801-0.5257-0.92132.3069-0.49251.9755-0.0463-0.03680.28260.06630.039-0.224-0.2210.12110.00740.0868-0.0211-0.0320.0274-0.04780.1774-5.61-63.903128.974
590.81320.9811-0.18991.8646-0.18330.22750.0163-0.1146-0.0060.1329-0.0768-0.13710.02460.00380.06040.04490.0247-0.03780.0768-0.05590.1001-11.49-87.009140.085
600.29690.0386-0.15170.00780.00450.73040.0021-0.03290.0473-0.0066-0.0098-0.0059-0.064-0.02370.00780.08050.0148-0.01640.0802-0.04230.164-7.521-81.913134.093
618.18417.1695.39817.08016.67599.4184-0.11790.27690.1982-0.27210.2007-0.0806-0.37230.1637-0.08270.08050.0270.06420.02370.0380.2578-4.284-64.996113.418
621.4414-1.0569-0.58933.2640.01650.7017-0.07240.0547-0.059-0.17680.02820.52850.0537-0.17880.04420.1179-0.0341-0.06020.1172-0.05170.1438-39.313-149.67892.48
630.20670.0862-0.03430.5376-0.01620.2222-0.01550.01120.0089-0.08120.0017-0.01110.0377-0.02150.01380.08160.02350.00490.0594-0.04760.0563-21.673-139.37299.64
640.1822-0.0109-0.02950.1901-0.01380.1864-0.004-0.01640.00410.02770.0071-0.0180.04430.013-0.00310.07370.02530.00060.054-0.04050.0687-15.39-144.293124.238
650.5011-0.2036-0.22590.5376-0.10730.4599-0.0556-0.10470.00560.0991-0.0012-0.0740.09310.05980.05680.10210.0246-0.01240.058-0.0190.0341-16.01-159.776140.245
660.168-0.09120.03530.6927-0.44671.3704-0.0075-0.00360.00550.06050.08070.09780.0258-0.1499-0.07320.01780.00640.01650.0595-0.03060.0858-40.894-139.182129.157
670.15140.02-0.0030.32650.29050.4534-0.0180.03080.03070.02060.0803-0.08710.06070.1546-0.06230.05140.0568-0.00950.1112-0.03360.079215.955-157.987105.729
680.62810.35870.72160.41890.75171.459-0.04040.0970.1641-0.06060.03360.0027-0.06550.21120.00670.11620.02580.00970.2042-0.01890.096915.424-158.18389.009
690.3024-0.00290.05230.74250.12050.37060.00920.0081-0.04440.01320.0106-0.03960.0670.1156-0.01980.08290.06230.00940.0759-0.02820.084.314-173.45598.963
700.888-1.31650.67473.442-0.90731.0612-0.0274-0.0687-0.09680.24440.02190.06620.0961-0.03180.00560.12840.03490.03240.0553-0.0150.1044-3.554-182.495102.421
710.7555-0.1195-0.11870.40010.0550.21290.01220.06110.11990.00870.0394-0.0453-0.00850.0699-0.05160.03140.0160.00470.0898-0.02710.03887.665-144.43686.599
720.50070.2714-0.4421.1571-0.45972.6712-0.02840.114-0.1009-0.04190.05250.13680.2274-0.026-0.02420.06110.0367-0.01590.0713-0.05730.1027-4.067-184.08780.591
735.9584-0.4514-0.28313.4325-1.9162.7584-0.0697-0.1003-0.36240.01350.0482-0.06090.39370.18210.02150.19210.05760.00620.0647-0.07330.1737-14.753-179.181117.391
740.86660.6579-0.81061.5602-1.16842.461-0.0141-0.0204-0.1635-0.06550.0032-0.06990.25940.04360.01090.13020.0258-0.01460.0316-0.03690.1054-24.159-177.517121.77
755.65645.75820.69496.3641.89693.73550.2342-0.2431-0.35390.4328-0.244-0.18320.3853-0.17890.00980.2501-0.01870.04550.08560.07650.2747-37.287-181.908134.142
760.4631-0.5326-0.12384.8071-0.09431.9072-0.0193-0.1055-0.13380.06960.03440.23130.086-0.165-0.0150.1433-0.01130.02130.07-0.00010.0913-34.07-170.935137.155
771.28061.4171-0.31412.8314-0.57870.6260.0404-0.1257-0.0030.2336-0.05760.00980.01690.06420.01710.12970.0282-0.01070.0796-0.03280.0234-17.225-152.305143.312
780.2770.06540.33090.02090.08650.4310.0041-0.04780.0070.0206-0.02310.02330.0833-0.04620.0190.16050.00340.02850.0912-0.02750.1206-28.251-161.354137.245
790.80821.5775-1.31974.8666-6.24149.8910.01720.1199-0.0506-0.11760.35250.11740.143-0.4192-0.36970.1036-0.0104-0.03260.038-0.02180.0991-39.427-177.692119.128
精密化 TLSグループ
IDRefine-IDRefine TLS-IDAuth asym-IDAuth seq-ID
1X-RAY DIFFRACTION1A15 - 53
2X-RAY DIFFRACTION2A54 - 282
3X-RAY DIFFRACTION3A283 - 657
4X-RAY DIFFRACTION4A658 - 724
5X-RAY DIFFRACTION5A725 - 776
6X-RAY DIFFRACTION6B9 - 254
7X-RAY DIFFRACTION7B255 - 300
8X-RAY DIFFRACTION8B301 - 355
9X-RAY DIFFRACTION9B356 - 556
10X-RAY DIFFRACTION10B557 - 642
11X-RAY DIFFRACTION11B643 - 717
12X-RAY DIFFRACTION12C2 - 30
13X-RAY DIFFRACTION13C31 - 54
14X-RAY DIFFRACTION14C55 - 91
15X-RAY DIFFRACTION15C92 - 118
16X-RAY DIFFRACTION16C119 - 149
17X-RAY DIFFRACTION17C150 - 166
18X-RAY DIFFRACTION18D15 - 53
19X-RAY DIFFRACTION19D54 - 226
20X-RAY DIFFRACTION20D227 - 282
21X-RAY DIFFRACTION21D283 - 609
22X-RAY DIFFRACTION22D610 - 657
23X-RAY DIFFRACTION23D658 - 724
24X-RAY DIFFRACTION24D725 - 776
25X-RAY DIFFRACTION25E9 - 254
26X-RAY DIFFRACTION26E255 - 300
27X-RAY DIFFRACTION27E301 - 355
28X-RAY DIFFRACTION28E356 - 556
29X-RAY DIFFRACTION29E557 - 642
30X-RAY DIFFRACTION30E643 - 717
31X-RAY DIFFRACTION31F2 - 17
32X-RAY DIFFRACTION32F18 - 30
33X-RAY DIFFRACTION33F31 - 54
34X-RAY DIFFRACTION34F55 - 63
35X-RAY DIFFRACTION35F64 - 74
36X-RAY DIFFRACTION36F75 - 91
37X-RAY DIFFRACTION37F92 - 104
38X-RAY DIFFRACTION38F105 - 118
39X-RAY DIFFRACTION39F119 - 134
40X-RAY DIFFRACTION40F135 - 149
41X-RAY DIFFRACTION41F150 - 166
42X-RAY DIFFRACTION42G15 - 53
43X-RAY DIFFRACTION43G54 - 226
44X-RAY DIFFRACTION44G227 - 282
45X-RAY DIFFRACTION45G283 - 362
46X-RAY DIFFRACTION46G363 - 621
47X-RAY DIFFRACTION47G622 - 724
48X-RAY DIFFRACTION48G725 - 776
49X-RAY DIFFRACTION49H9 - 61
50X-RAY DIFFRACTION50H62 - 254
51X-RAY DIFFRACTION51H255 - 300
52X-RAY DIFFRACTION52H301 - 432
53X-RAY DIFFRACTION53H433 - 556
54X-RAY DIFFRACTION54H557 - 642
55X-RAY DIFFRACTION55H643 - 717
56X-RAY DIFFRACTION56I2 - 30
57X-RAY DIFFRACTION57I31 - 44
58X-RAY DIFFRACTION58I45 - 82
59X-RAY DIFFRACTION59I83 - 118
60X-RAY DIFFRACTION60I119 - 149
61X-RAY DIFFRACTION61I150 - 166
62X-RAY DIFFRACTION62J15 - 53
63X-RAY DIFFRACTION63J54 - 282
64X-RAY DIFFRACTION64J283 - 621
65X-RAY DIFFRACTION65J622 - 724
66X-RAY DIFFRACTION66J725 - 776
67X-RAY DIFFRACTION67K9 - 254
68X-RAY DIFFRACTION68K255 - 300
69X-RAY DIFFRACTION69K301 - 413
70X-RAY DIFFRACTION70K414 - 459
71X-RAY DIFFRACTION71K460 - 642
72X-RAY DIFFRACTION72K643 - 717
73X-RAY DIFFRACTION73L2 - 17
74X-RAY DIFFRACTION74L18 - 63
75X-RAY DIFFRACTION75L64 - 74
76X-RAY DIFFRACTION76L75 - 91
77X-RAY DIFFRACTION77L92 - 118
78X-RAY DIFFRACTION78L119 - 149
79X-RAY DIFFRACTION79L150 - 166

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万見について

-
お知らせ

-
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

-
2020年8月12日: 新型コロナ情報

新型コロナ情報

URL: https://pdbjlc1.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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