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- PDB-5aa5: Actinobacterial-type NiFe-hydrogenase from Ralstonia eutropha H16... -

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基本情報

登録情報
データベース: PDB / ID: 5aa5
タイトルActinobacterial-type NiFe-hydrogenase from Ralstonia eutropha H16 at 2.85 Angstrom resolution
要素
  • NIFE-HYDROGENASE LARGE SUBUNIT, HOFG
  • NIFE-HYDROGENASE SMALL SUBUNIT, HOFK
キーワードOXIDOREDUCTASE / HYDROGENASE / DIHYDROGEN / METALLOENZYME / NICKEL / TROPOSPHERIC HYDROGEN / OXYGEN TOLERANCE
機能・相同性
機能・相同性情報


hydrogenase (acceptor) / [Ni-Fe] hydrogenase complex / ferredoxin hydrogenase complex / ferredoxin hydrogenase activity / cell envelope / anaerobic respiration / 3 iron, 4 sulfur cluster binding / nickel cation binding / 4 iron, 4 sulfur cluster binding / electron transfer activity ...hydrogenase (acceptor) / [Ni-Fe] hydrogenase complex / ferredoxin hydrogenase complex / ferredoxin hydrogenase activity / cell envelope / anaerobic respiration / 3 iron, 4 sulfur cluster binding / nickel cation binding / 4 iron, 4 sulfur cluster binding / electron transfer activity / metal ion binding / membrane
類似検索 - 分子機能
Cytochrome-c3 Hydrogenase; Chain A, domain 2 / Cytochrome-c3 hydrogenase, C-terminal domain / [NiFe]-hydrogenase, small subunit / Cytochrome-c3 hydrogenase, C-terminal / [NiFe]-hydrogenase, small subunit, C-terminal domain superfamily / NiFe/NiFeSe hydrogenase small subunit C-terminal / [NiFe]-hydrogenase, small subunit, N-terminal domain superfamily / Cytochrome-c3 Hydrogenase; chain B / Cytochrome-c3 Hydrogenase, chain B / : ...Cytochrome-c3 Hydrogenase; Chain A, domain 2 / Cytochrome-c3 hydrogenase, C-terminal domain / [NiFe]-hydrogenase, small subunit / Cytochrome-c3 hydrogenase, C-terminal / [NiFe]-hydrogenase, small subunit, C-terminal domain superfamily / NiFe/NiFeSe hydrogenase small subunit C-terminal / [NiFe]-hydrogenase, small subunit, N-terminal domain superfamily / Cytochrome-c3 Hydrogenase; chain B / Cytochrome-c3 Hydrogenase, chain B / : / Nickel-dependent hydrogenase, large subunit / Nickel-dependent hydrogenase / NADH:ubiquinone oxidoreductase-like, 20kDa subunit / NADH ubiquinone oxidoreductase, 20 Kd subunit / [NiFe]-hydrogenase, large subunit / Few Secondary Structures / Irregular / Orthogonal Bundle / Mainly Alpha
類似検索 - ドメイン・相同性
MALONIC ACID / Chem-NFU / IRON/SULFUR CLUSTER / Hydrogenase / hydrogenase (acceptor)
類似検索 - 構成要素
生物種CUPRIAVIDUS NECATOR (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: 2.497 Å
データ登録者Schaefer, C. / Bommer, M. / Hennig, S. / Jeoung, J.H. / Dobbek, H. / Lenz, O.
引用ジャーナル: Structure / : 2016
タイトル: Structure of an Actinobacterial-Type [Nife]-Hydrogenase Reveals Insight Into O2-Tolerant H2 Oxidation.
著者: Schafer, C. / Bommer, M. / Hennig, S.E. / Jeoung, J. / Dobbek, H. / Lenz, O.
履歴
登録2015年7月23日登録サイト: PDBE / 処理サイト: PDBE
改定 1.02016年1月20日Provider: repository / タイプ: Initial release
改定 1.12016年3月2日Group: Database references
改定 1.22024年1月10日Group: Data collection / Database references ...Data collection / Database references / Derived calculations / Other / Refinement description
カテゴリ: chem_comp_atom / chem_comp_bond ...chem_comp_atom / chem_comp_bond / database_2 / pdbx_database_status / pdbx_initial_refinement_model / 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_site.pdbx_auth_asym_id / _struct_site.pdbx_auth_comp_id / _struct_site.pdbx_auth_seq_id
改定 1.32024年11月20日Group: Structure summary
カテゴリ: pdbx_entry_details / pdbx_modification_feature

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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: NIFE-HYDROGENASE SMALL SUBUNIT, HOFK
B: NIFE-HYDROGENASE SMALL SUBUNIT, HOFK
C: NIFE-HYDROGENASE LARGE SUBUNIT, HOFG
D: NIFE-HYDROGENASE SMALL SUBUNIT, HOFK
E: NIFE-HYDROGENASE LARGE SUBUNIT, HOFG
F: NIFE-HYDROGENASE SMALL SUBUNIT, HOFK
G: NIFE-HYDROGENASE LARGE SUBUNIT, HOFG
H: NIFE-HYDROGENASE SMALL SUBUNIT, HOFK
I: NIFE-HYDROGENASE LARGE SUBUNIT, HOFG
K: NIFE-HYDROGENASE LARGE SUBUNIT, HOFG
L: NIFE-HYDROGENASE LARGE SUBUNIT, HOFG
M: NIFE-HYDROGENASE SMALL SUBUNIT, HOFK
ヘテロ分子


分子量 (理論値)分子数
合計 (水以外)628,61042
ポリマ-620,48312
非ポリマー8,12730
00
1


  • 登録構造と同一
  • 登録者・ソフトウェアが定義した集合体
タイプ名称対称操作
identity operation1_555x,y,z1
Buried area82100 Å2
ΔGint-827.5 kcal/mol
Surface area148730 Å2
手法PISA
単位格子
Length a, b, c (Å)81.780, 267.971, 144.686
Angle α, β, γ (deg.)90.00, 106.58, 90.00
Int Tables number4
Space group name H-MP1211
非結晶学的対称性 (NCS)NCS oper:
IDCodeMatrixベクター
1given(0.988, -0.052, -0.1457), (0.0977, -0.52, 0.8486), (-0.1199, -0.8526, -0.5087)10.416, 198.7751, 141.7802
2given(-0.9842, 0.155, 0.0862), (-0.1589, -0.9865, -0.0401), (0.0788, -0.0532, 0.9955)24.3794, 281.6915, 5.277
3given(0.9947, 0.0994, 0.0244), (0.0708, -0.4961, -0.8654), (-0.0739, 0.8626, -0.5005)-12.6883, 218.1326, -99.5223
4given(-0.9911, -0.0969, 0.0915), (-0.1289, 0.522, -0.8432), (0.0339, -0.8474, -0.5298)59.1757, 80.4089, 137.2852
5given(-0.9936, -0.105, -0.0416), (-0.086, 0.4653, 0.881), (-0.0732, 0.8789, -0.4714)62.7369, 64.9444, -101.3682
6given(0.9893, -0.0596, -0.1329), (0.0829, -0.5195, 0.8505), (-0.1197, -0.8524, -0.509)10.6333, 198.7086, 141.872
7given(-0.9932, -0.0998, -0.0594), (-0.0996, 0.4676, 0.8783), (-0.0599, 0.8783, -0.4744)62.6829, 64.922, -101.7091
8given(-0.9843, 0.1547, 0.085), (-0.1585, -0.9866, -0.0392), (0.0778, -0.052, 0.9956)24.371, 281.4753, 5.3735
9given(-0.9917, -0.0958, 0.0853), (-0.1228, 0.518, -0.8465), (0.0369, -0.85, -0.5254)58.7964, 80.4275, 137.7739
10given(0.9952, 0.095, 0.0255), (0.0696, -0.4966, -0.8652), (-0.0695, 0.8628, -0.5008)-12.2442, 218.1921, -99.4332

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要素

#1: タンパク質
NIFE-HYDROGENASE SMALL SUBUNIT, HOFK


分子量: 37934.523 Da / 分子数: 6 / 由来タイプ: 天然 / 詳細: GERMAN COLLECTION OF MICROORGANISMS (DSM) 428 / 由来: (天然) CUPRIAVIDUS NECATOR (バクテリア) / : H16 / 参照: UniProt: Q7WXQ4, hydrogenase (acceptor)
#2: タンパク質
NIFE-HYDROGENASE LARGE SUBUNIT, HOFG


分子量: 65479.293 Da / 分子数: 6 / 由来タイプ: 天然 / 詳細: GERMAN COLLECTION OF MICROORGANISMS (DSM) 428 / 由来: (天然) CUPRIAVIDUS NECATOR (バクテリア) / : H16 / 参照: UniProt: Q7WXQ3, hydrogenase (acceptor)
#3: 化合物
ChemComp-SF4 / IRON/SULFUR CLUSTER


分子量: 351.640 Da / 分子数: 18 / 由来タイプ: 合成 / : Fe4S4
#4: 化合物
ChemComp-MLA / MALONIC ACID / DICARBOXYLIC ACID C3 / PROPANEDIOLIC ACID / METHANEDICARBOXYLIC ACID / マロン酸


分子量: 104.061 Da / 分子数: 6 / 由来タイプ: 合成 / : C3H4O4
#5: 化合物
ChemComp-NFU / formyl[bis(hydrocyanato-1kappaC)]ironnickel(Fe-Ni) / NI-FE REDUCED ACTIVE CENTER


分子量: 195.591 Da / 分子数: 6 / 由来タイプ: 合成 / : C3HFeN2NiO
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: 2.38 Å3/Da / 溶媒含有率: 48.39 % / 解説: NONE
結晶化pH: 7
詳細: 17.5% PEG 4000, 160 MM IMIDAZOLE- MALONATE, PH 7.0, 15% 2R,3R-BUTANDIOL AS CRYO- PROTECTANT

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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: BESSY / ビームライン: 14.1 / 波長: 1.485
検出器タイプ: MARRESEARCH / 検出器: CCD / 日付: 2012年11月7日 / 詳細: MIRRORS
放射モノクロメーター: SI-111 CRYSTAL / 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: 1.485 Å / 相対比: 1
反射解像度: 2.497→45.97 Å / Num. obs: 200461 / % possible obs: 97.4 % / Observed criterion σ(I): 0.5 / 冗長度: 3.9 % / Biso Wilson estimate: 33.63 Å2 / Rmerge(I) obs: 0.17 / Net I/σ(I): 7.17
反射 シェル解像度: 2.497→2.586 Å / 冗長度: 2.6 % / Rmerge(I) obs: 1.76 / Mean I/σ(I) obs: 0.55 / % possible all: 80.5

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解析

ソフトウェア
名称バージョン分類
PHENIX(PHENIX.REFINE)精密化
XDSデータ削減
XDS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: PDB ENTRY 1CC1
解像度: 2.497→45.965 Å / SU ML: 0.4 / σ(F): 2 / 位相誤差: 25.78 / 立体化学のターゲット値: ML
詳細: THE RESOLUTION OF THE DATA BY THE I/SIGMA(I)>2 CONVENTION IS 2.85 ANGSTROM. ADDITIONAL DATA TO 2.5 ANGSTROM WERE USED IN REFINEMENT TO IMPROVE THE MODEL (AS SUGGESTED IN KARPLUS AND ...詳細: THE RESOLUTION OF THE DATA BY THE I/SIGMA(I)>2 CONVENTION IS 2.85 ANGSTROM. ADDITIONAL DATA TO 2.5 ANGSTROM WERE USED IN REFINEMENT TO IMPROVE THE MODEL (AS SUGGESTED IN KARPLUS AND DIEDERICHS (SCIENCE 2012; 336:1030 -1033)). THIS ENTRY CONTAINS THE FULL 2.5 ANGSTROM DATA.
Rfactor反射数%反射
Rfree0.242 10023 5 %
Rwork0.187 --
obs0.1898 200453 97.36 %
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
原子変位パラメータBiso mean: 46.1 Å2
精密化ステップサイクル: LAST / 解像度: 2.497→45.965 Å
タンパク質核酸リガンド溶媒全体
原子数42631 0 234 0 42865
拘束条件
Refine-IDタイプDev ideal
X-RAY DIFFRACTIONf_bond_d0.00544287
X-RAY DIFFRACTIONf_angle_d0.8960388
X-RAY DIFFRACTIONf_dihedral_angle_d14.03416134
X-RAY DIFFRACTIONf_chiral_restr0.0326361
X-RAY DIFFRACTIONf_plane_restr0.0047826
LS精密化 シェル
解像度 (Å)Rfactor RfreeNum. reflection RfreeRfactor RworkNum. reflection RworkRefine-ID% reflection obs (%)
2.4966-2.5250.39492410.35124588X-RAY DIFFRACTION71
2.525-2.55470.3862870.35165445X-RAY DIFFRACTION83
2.5547-2.58580.35812970.32845649X-RAY DIFFRACTION87
2.5858-2.61860.36563130.31915952X-RAY DIFFRACTION91
2.6186-2.6530.34743220.30686111X-RAY DIFFRACTION94
2.653-2.68930.35333330.30026327X-RAY DIFFRACTION97
2.6893-2.72780.33943440.29536549X-RAY DIFFRACTION100
2.7278-2.76850.32193410.29176475X-RAY DIFFRACTION100
2.7685-2.81170.33523430.27956518X-RAY DIFFRACTION100
2.8117-2.85780.32823410.25296472X-RAY DIFFRACTION100
2.8578-2.90710.32093460.25516566X-RAY DIFFRACTION100
2.9071-2.95990.30623400.25546474X-RAY DIFFRACTION100
2.9599-3.01690.29173450.23966554X-RAY DIFFRACTION100
3.0169-3.07840.29033420.23296497X-RAY DIFFRACTION100
3.0784-3.14540.27073450.21866543X-RAY DIFFRACTION100
3.1454-3.21850.27773380.21616435X-RAY DIFFRACTION100
3.2185-3.2990.29723450.22096551X-RAY DIFFRACTION100
3.299-3.38810.27333420.20416491X-RAY DIFFRACTION100
3.3881-3.48780.2593430.19456519X-RAY DIFFRACTION100
3.4878-3.60030.24713420.17696495X-RAY DIFFRACTION100
3.6003-3.7290.21393440.16146543X-RAY DIFFRACTION100
3.729-3.87820.223440.15326543X-RAY DIFFRACTION100
3.8782-4.05460.20133410.14356471X-RAY DIFFRACTION100
4.0546-4.26820.1973430.13166517X-RAY DIFFRACTION100
4.2682-4.53540.17733450.12766565X-RAY DIFFRACTION100
4.5354-4.88520.17153410.12466477X-RAY DIFFRACTION100
4.8852-5.37620.19033440.12586525X-RAY DIFFRACTION100
5.3762-6.15260.18073440.13016537X-RAY DIFFRACTION100
6.1526-7.74560.17643440.12146538X-RAY DIFFRACTION100
7.7456-45.97320.15453430.11826503X-RAY DIFFRACTION98
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)
10.5349-0.18920.05481.10710.070.7640.03370.13850.3953-0.1605-0.13420.1363-0.1595-0.17980.09230.3360.0826-0.01180.22380.04310.42961.4128203.233512.7897
20.4827-0.61070.0960.9204-0.16790.6555-0.1124-0.14830.21090.1170.11050.054-0.1327-0.22520.06860.18030.05950.01610.2859-0.02130.28162.031189.093532.119
30.72670.4867-0.18191.1051-0.15420.25580.02970.0296-0.0376-0.45070.02190.44670.072-0.32390.08790.38750.0726-0.12580.36630.06360.3862-16.5849185.85219.4651
40.6306-0.49160.14071.0136-0.28870.8141-0.1448-0.09360.1884-0.26690.13630.3193-0.1415-0.31540.07340.12040.10960.02210.2938-0.00450.2641-5.9836191.021724.5183
50.5762-0.2606-0.04180.61160.2110.4244-0.2573-0.63370.22660.78890.4782-0.00280.0469-0.20870.44870.59640.44380.09920.5633-0.18110.032817.2894170.499661.44
60.15330.05090.00410.0950.03470.0145-0.0511-0.2367-0.04220.2410.089-0.02190.14020.073-0.11740.92560.4676-0.22160.705-0.06770.28433.3361160.166475.1988
70.7027-0.61070.26141.2295-0.0180.5096-0.085-0.14850.00610.07070.1363-0.11280.1967-0.04880.00030.19890.04390.05430.2140.00380.149523.2555159.022537.6998
80.2635-0.11510.07870.26740.18460.3610.0637-0.2741-0.1240.57520.03770.22460.3954-0.30590.05711.2923-0.14420.20260.5379-0.11630.29177.1385108.165170.3762
90.45120.22-0.17350.92680.51880.5333-0.0204-0.0914-0.06940.5952-0.28010.36890.3102-0.5536-0.03790.4967-0.07470.14810.4014-0.15780.37112.062110.934243.911
100.0118-0.01940.00410.0627-0.02590.01230.0093-0.178-0.2320.40670.0379-0.02130.4438-0.0601-0.0281.5906-0.19760.03440.48410.07660.39313.323781.764861.7193
110.48360.00140.04620.5087-0.04410.56630.1128-0.213-0.20430.7664-0.18250.10210.5789-0.3051-0.16480.8716-0.14980.09580.2711-0.02910.280410.340695.613544.834
120.40710.2187-0.09110.38380.24110.334-0.0785-0.1477-0.10620.5248-0.2510.43810.1529-0.4037-0.14130.7333-0.18370.32910.729-0.24920.696-10.043103.489150.8298
130.24780.0137-0.0640.26640.15970.5246-0.0426-0.0537-0.05890.3801-0.01230.29150.0905-0.34660.23260.8454-0.13710.39330.8893-0.35770.6705-11.0803118.868360.8168
140.0853-0.02130.0270.15130.16870.2603-0.1107-0.1793-0.0890.3981-0.11080.3090.0883-0.4391-0.13311.002-0.37540.61650.8201-0.19280.4884-7.8419102.553358.0008
150.177-0.0804-0.11660.10210.18760.37120.0115-0.17750.00230.5707-0.33050.54430.3255-0.5485-0.12010.7943-0.21620.30720.5833-0.19420.4803-3.1474105.311149.3171
160.46-0.02770.09651.3953-0.31390.15580.0908-0.188-0.15290.64430.06690.09590.4433-0.18530.01681.3219-0.21070.250.5120.0380.40438.296797.879869.5611
170.2829-0.27440.06040.82050.40680.6280.00050.0021-0.12180.42710.2602-0.310.38350.2142-0.04730.51430.0849-0.12140.2532-0.12210.338737.573984.339925.0516
180.42550.11540.22370.84150.14710.550.01330.0623-0.0553-0.06630.2084-0.65410.040.3294-0.27540.35740.0419-0.01430.4725-0.3770.630355.854486.70576.7682
190.4352-0.059-0.020.710.30940.55570.019-0.0759-0.07440.32030.2961-0.56510.34560.2995-0.0960.4470.1164-0.15820.344-0.18550.482647.676387.093924.7296
200.45050.1263-0.03710.95590.03330.75310.06560.0146-0.21020.04370.1985-0.25630.33640.09510.13040.45020.1364-0.09520.2787-0.24130.420740.294775.097413.13
210.71610.29570.05040.75970.15320.4840.0440.2499-0.2756-0.4427-0.01930.31040.2152-0.041-0.05040.688-0.0279-0.22730.4095-0.11730.45655.3514104.1532-51.2982
220.2877-0.07680.26781.161-0.05920.29360.0203-0.0491-0.2547-0.0819-0.00520.55460.2174-0.19290.00770.2979-0.0240.06950.30410.03560.41711.4556124.4244-26.5824
230.4781-0.12970.10460.76630.50051.28350.09890.2214-0.1139-0.6180.07870.1793-0.09660.03650.00710.5072-0.0107-0.01530.3034-0.04990.2512.0947129.5366-47.3389
240.36250.07340.22061.04110.26050.25590.02590.1765-0.0851-0.18980.01470.52150.055-0.18670.03380.362-0.0265-0.07350.3779-0.01760.4742-6.2452128.5842-40.7017
250.5439-0.4592-0.33690.84080.39550.2350.0976-0.0536-0.1531-0.0274-0.05530.56960.2844-0.34720.05520.6359-0.21160.10890.51070.09460.8721-10.9442105.6286-24.5659
260.2369-0.04220.06040.85070.24460.41840.12280.0666-0.1868-0.4176-0.00490.56650.1277-0.27040.0350.4102-0.0465-0.17810.3898-0.02080.5656-6.0683128.0302-43.1496
270.2925-0.09040.12231.10650.41760.24350.0134-0.1991-0.12510.13230.11640.40290.1306-0.24240.01940.3177-0.01570.14730.45290.04730.6167-6.292126.4088-20.2231
280.7107-0.04850.0970.98020.03681.15760.13690.128-0.2924-0.3766-0.00560.47270.2421-0.09380.04430.5096-0.0958-0.10760.2916-0.01470.48210.2567110.6404-43.2922
290.57890.0512-0.01910.53460.28190.4022-0.04050.12260.1631-0.26460.0589-0.397-0.30150.1820.00050.4442-0.03340.13790.3616-0.00010.292939.6399163.0076-35.2345
300.54920.0602-0.07330.57580.06310.81070.00460.28360.053-0.50330.035-0.0607-0.06580.1213-0.01330.54740.00820.06570.37930.01090.227229.3032151.4854-47.4239
310.40250.0747-0.11840.66610.05870.10520.06290.22980.0298-0.35720.0526-0.4124-0.03410.2785-0.02110.4891-0.04160.19550.4729-0.02820.393445.5668150.0647-43.0661
320.7154-0.80530.06020.9232-0.06920.1345-0.14440.00170.21240.05230.1339-0.6698-0.23420.3653-0.16650.4061-0.11440.15990.5123-0.06310.698855.9027170.8356-29.3398
330.4268-0.134-0.18230.76920.05140.1851-0.03230.09630.0717-0.32420.09-0.5245-0.09870.1995-0.06480.4229-0.03210.150.4522-0.03410.410348.2389153.0764-39.0178
340.32350.0883-0.05330.87480.23880.55350.05750.16130.3139-0.45730.0167-0.3028-0.39120.1337-0.01250.615-0.08880.1970.42640.0180.461841.5638170.2137-43.6424
350.27730.04620.27631.05960.1660.5435-0.0376-0.0575-0.09190.3346-0.02590.22190.4122-0.2069-0.04380.4778-0.06990.02320.233-0.02550.257212.755582.590319.8305
361.17410.2769-0.24171.36920.0591.143-0.07830.1474-0.2562-0.06540.0701-0.04090.2549-0.0233-0.05550.4314-0.0134-0.10910.2275-0.05530.208418.241383.73992.2999
371.44560.50730.24632.3258-0.3370.65890.05980.113-0.5129-0.08420.1388-0.03560.623-0.1758-0.03850.4564-0.0377-0.02480.3401-0.1430.318726.793175.3957-1.484
380.77050.06310.07011.01020.3950.7981-0.00160.0090.0109-0.1544-0.00340.1250.1103-0.1472-0.0630.29790.0213-0.04340.2013-0.05410.203615.277793.77977.5526
391.42840.30180.04160.83690.25610.8999-0.1-0.08330.28430.05590.16770.001-0.2602-0.003-0.00390.41910.0347-0.02130.1902-0.06460.144226.217114.85119.3061
400.50870.04210.26520.71750.56650.8855-0.0130.10830.0299-0.37820.0005-0.0537-0.14330.116-0.14210.3618-0.02260.03050.1715-0.06660.115229.9851107.689214.1073
410.709-0.31370.1080.40450.19160.24430.01290.4269-0.049-0.33370.034-0.354-0.07410.1679-0.11370.6713-0.01570.0510.3088-0.08840.356827.575132.395725.4272
420.8171-0.2712-0.03680.91810.51720.7777-0.1126-0.27570.16470.4790.248-0.09810.0336-0.1083-0.06440.69470.02080.08480.2768-0.08850.337717.5707133.952357.7371
430.53480.22220.02890.75460.10350.6631-0.0160.06720.3876-0.1783-0.0581-0.553-0.32380.0182-0.00050.2622-0.01020.10090.15640.05530.65326.1811197.459621.6998
440.63870.01570.54421.01460.31110.5455-0.13230.26540.5151-0.22060.0366-0.0761-0.490.04030.02110.53020.08930.16480.26190.25510.487515.0248199.20043.2981
450.4376-0.1582-0.05270.3692-0.11240.4460.23140.29880.3719-0.4033-0.17-0.3838-0.04990.11990.02890.30810.10010.25450.23130.11350.342224.5066186.43349.1259
460.7079-0.03690.13640.6257-0.00891.00280.15240.0471-0.2879-0.3303-0.1109-0.10160.18410.00010.08050.20830.05110.13710.20790.03010.098417.2887166.176720.4417
470.2480.03160.05270.00440.00780.0102-0.0284-0.0346-0.338-0.19840.0387-0.1480.24120.1904-0.04180.59310.1005-0.07070.3623-0.0150.325512.5654157.652812.0527
481.67540.1171-0.52732.90040.41641.8175-0.06390.1318-0.0420.02180.00410.14090.1614-0.3129-0.02170.33430.0083-0.0060.1835-0.02630.125822.2443144.429234.3854
490.8189-0.30980.00130.6524-0.36210.2983-0.0839-0.2551-0.10630.56610.1916-0.13980.25190.0268-0.10070.57610.2343-0.03320.44960.04280.341333.3065144.263457.9894
500.36560.13130.0570.55950.0780.29650.2503-0.2768-0.15150.79430.0841-0.1330.37740.22360.29251.06230.029-0.17750.3444-0.05740.249429.8978102.173757.7481
510.699-0.09380.29610.6619-0.00420.19310.0058-0.63750.02240.71770.058-0.00530.3406-0.03040.04441.17960.0567-0.1050.4837-0.10110.209423.4631117.536468.839
520.80130.16680.07870.7110.31840.6927-0.0046-0.07170.2710.48870.1093-0.19930.12840.1143-0.07090.60540.0424-0.06920.2437-0.07370.203928.632118.931752.5964
531.14630.46330.02371.07010.23660.9758-0.06880.09470.19250.13850.04740.1986-0.205-0.06150.04360.3966-0.0044-0.01310.172-0.03660.16317.2374121.474534.0456
540.0767-0.0152-0.20480.00740.04940.70920.0421-0.04230.210.1184-0.00780.1178-0.2781-0.2706-0.01780.65090.0756-0.04140.35310.00560.319318.6569125.917512.7841
550.0858-0.0681-0.1840.77010.60610.80.05770.2082-0.0348-0.06650.0253-0.02660.0268-0.0307-0.06450.5337-0.01830.00150.2443-0.0620.071827.30899.0346-6.1046
560.82880.1455-0.05020.54210.04270.120.0410.2420.0233-0.3071-0.0309-0.29170.07230.2346-0.19710.50460.17660.16760.4639-0.13770.269540.6586121.8912-44.0326
570.4995-0.16440.05951.02470.24430.6990.01510.1716-0.2027-0.20880.0753-0.06210.18530.07-0.05350.43140.02360.0120.286-0.06640.304123.1197113.4235-38.2859
581.2833-0.0736-0.13390.89960.09920.96420.04050.1245-0.4715-0.30790.03720.18040.3621-0.0123-0.05940.51060.0079-0.07470.2297-0.04180.356819.1753103.204-32.0593
590.4147-0.1590.3291.2910.10750.46630.1648-0.0821-0.2750.00760.06210.00510.33960.1405-0.05980.45070.054-0.03790.2510.01680.226923.6924110.1361-22.4568
601.4204-0.216-0.38151.09870.1960.70880.0161-0.04060.0389-0.16170.0215-0.1286-0.00440.1422-0.05940.35310.02150.03380.2665-0.05970.22333.4403121.2805-27.6949
610.6217-0.22560.13371.07590.07440.6373-0.0349-0.17660.1180.44730.06220.04390.077-0.0016-0.03820.3610.01440.05990.26580.01740.153716.1396130.7528-13.453
620.79260.17060.47040.78730.17060.2853-0.0274-0.3318-0.25080.32380.04050.14710.2021-0.14610.0190.6860.13280.19230.46540.00550.340618.316147.71030.7878
630.47740.03790.2270.70930.36110.2734-0.1097-0.1610.1779-0.0742-0.0098-0.1489-0.26770.0954-0.01610.5849-0.00280.04590.2713-0.07510.36328.6915176.009-13.3409
640.3811-0.07920.05710.8460.15830.5058-0.03470.12560.1134-0.5131-0.00120.1637-0.317-0.03650.01180.44210.0356-0.01360.29440.02860.267413.5911162.5398-40.6261
651.52090.17290.53561.70370.30061.56730.07120.11850.205-0.4888-0.07250.103-0.2749-0.00190.03940.43810.06780.04220.2709-0.04340.296519.8587175.8565-30.3971
662.19510.0014-0.16460.77640.20381.0201-0.03550.41740.4548-0.52280.035-0.0891-0.59760.1107-0.00990.6011-0.0136-0.01840.24770.0420.41824.6084182.085-34.1875
670.61050.04360.00781.12150.18380.5545-0.1167-0.12170.1222-0.02990.05150.1363-0.23450.00930.00120.1950.05280.06810.2188-0.00180.223716.0027165.4689-23.8047
681.3533-0.52880.10310.83610.15520.7642-0.1236-0.3058-0.15860.14720.1902-0.03970.32980.14930.03650.42370.11510.1070.2527-0.00320.183422.258145.4421-11.2357
690.3357-0.3371-0.28611.76670.09520.9299-0.1705-0.20650.02450.16450.0126-0.3335-0.1260.1272-0.16640.30970.07580.09950.2744-0.03310.099529.8129151.0153-14.6353
700.0175-0.0184-0.00360.0186-0.00220.01460.149-0.24150.26920.26290.0373-0.3061-0.10740.0288-0.06760.73150.00360.03690.3644-0.05340.422926.6007133.6520.4087
710.5206-0.0107-0.24990.7128-0.22380.1945-0.059-0.0142-0.1740.0233-0.1160.05040.236-0.0736-0.04710.6915-0.0316-0.04380.33240.06170.394915.1954104.0983-13.9545
720.4811-0.2356-0.03420.8229-0.10980.5544-0.3877-0.58210.43070.82750.1562-0.6495-0.15010.0158-0.4860.70270.5118-0.37520.4605-0.35820.614440.4862168.733664.5573
730.1401-0.00710.05990.8269-0.08180.8662-0.3683-0.30820.47630.4293-0.0118-0.485-0.3391-0.0139-0.56050.33070.301-0.30880.2819-0.34790.897237.1492183.24351.9032
740.7584-0.46060.1510.8705-0.52220.3814-0.391-0.24360.5150.36270.0938-0.6204-0.3321-0.0832-0.35230.1640.1172-0.09670.2606-0.20.636732.6242183.884445.8166
750.2532-0.05480.06990.09-0.13270.1702-0.2198-0.2070.33020.26790.0198-0.5463-0.14510.1142-0.25790.29980.2106-0.35180.4185-0.19961.412356.9246178.045651.0249
760.3907-0.09980.01480.2901-0.20050.3792-0.2413-0.15330.19760.21720.0982-0.3335-0.09040.0501-0.30620.79370.4697-0.57940.6217-0.27540.776154.6276159.015963.2648
770.02560.0857-0.08770.3274-0.26020.3931-0.0602-0.11620.11890.2887-0.0881-0.33250.01380.313-0.24740.59580.2011-0.54220.5869-0.33341.182157.3521178.855158.2744
780.1066-0.05-0.05320.1442-0.11690.1939-0.0415-0.23160.21360.32360.0643-0.47280.02560.1204-0.05390.3209-0.0237-0.33070.3593-0.1561.368247.5834194.347445.201
790.2259-0.06480.05320.57410.12210.2077-0.3044-0.38120.54060.5240.1323-0.9143-0.0748-0.0064-0.41240.32210.3377-0.54120.4676-0.26390.952545.9729174.384853.9729
精密化 TLSグループ
IDRefine-IDRefine TLS-IDSelection details
1X-RAY DIFFRACTION1CHAIN 'G' AND (RESID 19 THROUGH 69 )
2X-RAY DIFFRACTION2CHAIN 'G' AND (RESID 70 THROUGH 309 )
3X-RAY DIFFRACTION3CHAIN 'G' AND (RESID 310 THROUGH 347 )
4X-RAY DIFFRACTION4CHAIN 'G' AND (RESID 348 THROUGH 579 )
5X-RAY DIFFRACTION5CHAIN 'D' AND (RESID 5 THROUGH 105 )
6X-RAY DIFFRACTION6CHAIN 'D' AND (RESID 106 THROUGH 124 )
7X-RAY DIFFRACTION7CHAIN 'D' AND (RESID 125 THROUGH 349 )
8X-RAY DIFFRACTION8CHAIN 'L' AND (RESID 20 THROUGH 69 )
9X-RAY DIFFRACTION9CHAIN 'L' AND (RESID 70 THROUGH 130 )
10X-RAY DIFFRACTION10CHAIN 'L' AND (RESID 131 THROUGH 167 )
11X-RAY DIFFRACTION11CHAIN 'L' AND (RESID 168 THROUGH 255 )
12X-RAY DIFFRACTION12CHAIN 'L' AND (RESID 256 THROUGH 299 )
13X-RAY DIFFRACTION13CHAIN 'L' AND (RESID 300 THROUGH 362 )
14X-RAY DIFFRACTION14CHAIN 'L' AND (RESID 363 THROUGH 424 )
15X-RAY DIFFRACTION15CHAIN 'L' AND (RESID 425 THROUGH 546 )
16X-RAY DIFFRACTION16CHAIN 'L' AND (RESID 547 THROUGH 579 )
17X-RAY DIFFRACTION17CHAIN 'C' AND (RESID 19 THROUGH 299 )
18X-RAY DIFFRACTION18CHAIN 'C' AND (RESID 300 THROUGH 358 )
19X-RAY DIFFRACTION19CHAIN 'C' AND (RESID 359 THROUGH 511 )
20X-RAY DIFFRACTION20CHAIN 'C' AND (RESID 512 THROUGH 579 )
21X-RAY DIFFRACTION21CHAIN 'I' AND (RESID 20 THROUGH 54 )
22X-RAY DIFFRACTION22CHAIN 'I' AND (RESID 55 THROUGH 130 )
23X-RAY DIFFRACTION23CHAIN 'I' AND (RESID 131 THROUGH 220 )
24X-RAY DIFFRACTION24CHAIN 'I' AND (RESID 221 THROUGH 322 )
25X-RAY DIFFRACTION25CHAIN 'I' AND (RESID 323 THROUGH 362 )
26X-RAY DIFFRACTION26CHAIN 'I' AND (RESID 363 THROUGH 475 )
27X-RAY DIFFRACTION27CHAIN 'I' AND (RESID 476 THROUGH 511 )
28X-RAY DIFFRACTION28CHAIN 'I' AND (RESID 512 THROUGH 579 )
29X-RAY DIFFRACTION29CHAIN 'K' AND (RESID 19 THROUGH 130 )
30X-RAY DIFFRACTION30CHAIN 'K' AND (RESID 131 THROUGH 220 )
31X-RAY DIFFRACTION31CHAIN 'K' AND (RESID 221 THROUGH 303 )
32X-RAY DIFFRACTION32CHAIN 'K' AND (RESID 304 THROUGH 362 )
33X-RAY DIFFRACTION33CHAIN 'K' AND (RESID 363 THROUGH 511 )
34X-RAY DIFFRACTION34CHAIN 'K' AND (RESID 512 THROUGH 579 )
35X-RAY DIFFRACTION35CHAIN 'A' AND (RESID 5 THROUGH 84 )
36X-RAY DIFFRACTION36CHAIN 'A' AND (RESID 85 THROUGH 106 )
37X-RAY DIFFRACTION37CHAIN 'A' AND (RESID 107 THROUGH 124 )
38X-RAY DIFFRACTION38CHAIN 'A' AND (RESID 125 THROUGH 219 )
39X-RAY DIFFRACTION39CHAIN 'A' AND (RESID 220 THROUGH 269 )
40X-RAY DIFFRACTION40CHAIN 'A' AND (RESID 270 THROUGH 306 )
41X-RAY DIFFRACTION41CHAIN 'A' AND (RESID 307 THROUGH 332 )
42X-RAY DIFFRACTION42CHAIN 'A' AND (RESID 333 THROUGH 349 )
43X-RAY DIFFRACTION43CHAIN 'B' AND (RESID 5 THROUGH 84 )
44X-RAY DIFFRACTION44CHAIN 'B' AND (RESID 85 THROUGH 124 )
45X-RAY DIFFRACTION45CHAIN 'B' AND (RESID 125 THROUGH 219 )
46X-RAY DIFFRACTION46CHAIN 'B' AND (RESID 220 THROUGH 294 )
47X-RAY DIFFRACTION47CHAIN 'B' AND (RESID 295 THROUGH 317 )
48X-RAY DIFFRACTION48CHAIN 'B' AND (RESID 318 THROUGH 333 )
49X-RAY DIFFRACTION49CHAIN 'B' AND (RESID 334 THROUGH 349 )
50X-RAY DIFFRACTION50CHAIN 'F' AND (RESID 5 THROUGH 84 )
51X-RAY DIFFRACTION51CHAIN 'F' AND (RESID 85 THROUGH 142 )
52X-RAY DIFFRACTION52CHAIN 'F' AND (RESID 143 THROUGH 219 )
53X-RAY DIFFRACTION53CHAIN 'F' AND (RESID 220 THROUGH 305 )
54X-RAY DIFFRACTION54CHAIN 'F' AND (RESID 306 THROUGH 332 )
55X-RAY DIFFRACTION55CHAIN 'F' AND (RESID 333 THROUGH 349 )
56X-RAY DIFFRACTION56CHAIN 'M' AND (RESID 5 THROUGH 26 )
57X-RAY DIFFRACTION57CHAIN 'M' AND (RESID 27 THROUGH 106 )
58X-RAY DIFFRACTION58CHAIN 'M' AND (RESID 107 THROUGH 152 )
59X-RAY DIFFRACTION59CHAIN 'M' AND (RESID 153 THROUGH 189 )
60X-RAY DIFFRACTION60CHAIN 'M' AND (RESID 190 THROUGH 219 )
61X-RAY DIFFRACTION61CHAIN 'M' AND (RESID 220 THROUGH 306 )
62X-RAY DIFFRACTION62CHAIN 'M' AND (RESID 307 THROUGH 332 )
63X-RAY DIFFRACTION63CHAIN 'M' AND (RESID 333 THROUGH 349 )
64X-RAY DIFFRACTION64CHAIN 'H' AND (RESID 5 THROUGH 85 )
65X-RAY DIFFRACTION65CHAIN 'H' AND (RESID 86 THROUGH 105 )
66X-RAY DIFFRACTION66CHAIN 'H' AND (RESID 106 THROUGH 135 )
67X-RAY DIFFRACTION67CHAIN 'H' AND (RESID 136 THROUGH 219 )
68X-RAY DIFFRACTION68CHAIN 'H' AND (RESID 220 THROUGH 243 )
69X-RAY DIFFRACTION69CHAIN 'H' AND (RESID 244 THROUGH 304 )
70X-RAY DIFFRACTION70CHAIN 'H' AND (RESID 305 THROUGH 332 )
71X-RAY DIFFRACTION71CHAIN 'H' AND (RESID 333 THROUGH 349 )
72X-RAY DIFFRACTION72CHAIN 'E' AND (RESID 21 THROUGH 84 )
73X-RAY DIFFRACTION73CHAIN 'E' AND (RESID 85 THROUGH 167 )
74X-RAY DIFFRACTION74CHAIN 'E' AND (RESID 168 THROUGH 255 )
75X-RAY DIFFRACTION75CHAIN 'E' AND (RESID 256 THROUGH 322 )
76X-RAY DIFFRACTION76CHAIN 'E' AND (RESID 323 THROUGH 374 )
77X-RAY DIFFRACTION77CHAIN 'E' AND (RESID 375 THROUGH 405 )
78X-RAY DIFFRACTION78CHAIN 'E' AND (RESID 406 THROUGH 444 )
79X-RAY DIFFRACTION79CHAIN 'E' AND (RESID 445 THROUGH 579 )

+
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://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

+
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

+
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

他の情報も見る