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- PDB-7q0g: Crystal structure of the receptor binding domain of SARS-CoV-2 be... -

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基本情報

登録情報
データベース: PDB / ID: 7q0g
タイトルCrystal structure of the receptor binding domain of SARS-CoV-2 beta variant spike glycoprotein in complex with Beta-49 and FI-3A Fabs
要素
  • Beta-49 Fab heavy chain
  • Beta-49 Fab light chain
  • FI-3A Fab heavy chain
  • FI-3A Fab light chain
  • Spike protein S1
キーワードVIRAL PROTEIN (ウイルスタンパク質) / SARS-CoV-2 alpha variant (SARSコロナウイルス2-アルファ株) / beta variant (SARSコロナウイルス2-ベータ株) / gamma variant (SARSコロナウイルス2-ガンマ株) / delta variant / B.1.1.7 (SARSコロナウイルス2-アルファ株) / B.1.351 (SARSコロナウイルス2-ベータ株) / P.1 / B.1.617.2 (SARSコロナウイルス2-デルタ株) / antibody (抗体) / RBD / spike / neutralisation / VIRAL PROTEIN/IMMUNE SYSTEM (ウイルス性)
機能・相同性
機能・相同性情報


Maturation of spike protein / viral translation / Translation of Structural Proteins / Virion Assembly and Release / host cell surface / host extracellular space / suppression by virus of host tetherin activity / Induction of Cell-Cell Fusion / structural constituent of virion / host cell endoplasmic reticulum-Golgi intermediate compartment membrane ...Maturation of spike protein / viral translation / Translation of Structural Proteins / Virion Assembly and Release / host cell surface / host extracellular space / suppression by virus of host tetherin activity / Induction of Cell-Cell Fusion / structural constituent of virion / host cell endoplasmic reticulum-Golgi intermediate compartment membrane / entry receptor-mediated virion attachment to host cell / receptor-mediated endocytosis of virus by host cell / Attachment and Entry / membrane fusion / positive regulation of viral entry into host cell / receptor-mediated virion attachment to host cell / receptor ligand activity / host cell surface receptor binding / fusion of virus membrane with host plasma membrane / fusion of virus membrane with host endosome membrane / エンベロープ (ウイルス) / virion attachment to host cell / SARS-CoV-2 activates/modulates innate and adaptive immune responses / host cell plasma membrane / virion membrane / 生体膜 / identical protein binding / 細胞膜
類似検索 - 分子機能
Spike (S) protein S1 subunit, receptor-binding domain, SARS-CoV-2 / Spike (S) protein S1 subunit, N-terminal domain, SARS-CoV-like / Betacoronavirus spike (S) glycoprotein S1 subunit N-terminal (NTD) domain profile. / Spike glycoprotein, N-terminal domain superfamily / Betacoronavirus spike (S) glycoprotein S1 subunit C-terminal (CTD) domain profile. / Spike glycoprotein, betacoronavirus / Spike (S) protein S1 subunit, receptor-binding domain, betacoronavirus / Spike S1 subunit, receptor binding domain superfamily, betacoronavirus / Betacoronavirus spike glycoprotein S1, receptor binding / Spike glycoprotein S1, N-terminal domain, betacoronavirus-like ...Spike (S) protein S1 subunit, receptor-binding domain, SARS-CoV-2 / Spike (S) protein S1 subunit, N-terminal domain, SARS-CoV-like / Betacoronavirus spike (S) glycoprotein S1 subunit N-terminal (NTD) domain profile. / Spike glycoprotein, N-terminal domain superfamily / Betacoronavirus spike (S) glycoprotein S1 subunit C-terminal (CTD) domain profile. / Spike glycoprotein, betacoronavirus / Spike (S) protein S1 subunit, receptor-binding domain, betacoronavirus / Spike S1 subunit, receptor binding domain superfamily, betacoronavirus / Betacoronavirus spike glycoprotein S1, receptor binding / Spike glycoprotein S1, N-terminal domain, betacoronavirus-like / Betacoronavirus-like spike glycoprotein S1, N-terminal / Spike glycoprotein S2, coronavirus, heptad repeat 1 / Spike glycoprotein S2, coronavirus, heptad repeat 2 / Coronavirus spike (S) glycoprotein S2 subunit heptad repeat 2 (HR2) region profile. / Coronavirus spike (S) glycoprotein S2 subunit heptad repeat 1 (HR1) region profile. / Spike glycoprotein S2 superfamily, coronavirus / Spike glycoprotein S2, coronavirus / Coronavirus spike glycoprotein S2 / Coronavirus spike glycoprotein S1, C-terminal / Coronavirus spike glycoprotein S1, C-terminal
類似検索 - ドメイン・相同性
: / D(-)-TARTARIC ACID / スパイクタンパク質
類似検索 - 構成要素
生物種Severe acute respiratory syndrome coronavirus 2 (SARSコロナウイルス2)
Homo sapiens (ヒト)
手法X線回折 / シンクロトロン / 分子置換 / 解像度: 1.82 Å
データ登録者Zhou, D. / Ren, J. / Stuart, D.I.
資金援助 英国, 2件
組織認可番号
CAMS Innovation Fund for Medical Sciences (CIFMS)2018-I2M-2-002 英国
Medical Research Council (MRC, United Kingdom)MR/N00065X/1 英国
引用ジャーナル: Cell Host Microbe / : 2022
タイトル: The antibody response to SARS-CoV-2 Beta underscores the antigenic distance to other variants.
著者: Chang Liu / Daming Zhou / Rungtiwa Nutalai / Helen M E Duyvesteyn / Aekkachai Tuekprakhon / Helen M Ginn / Wanwisa Dejnirattisai / Piyada Supasa / Alexander J Mentzer / Beibei Wang / James ...著者: Chang Liu / Daming Zhou / Rungtiwa Nutalai / Helen M E Duyvesteyn / Aekkachai Tuekprakhon / Helen M Ginn / Wanwisa Dejnirattisai / Piyada Supasa / Alexander J Mentzer / Beibei Wang / James Brett Case / Yuguang Zhao / Donal T Skelly / Rita E Chen / Sile Ann Johnson / Thomas G Ritter / Chris Mason / Tariq Malik / Nigel Temperton / Neil G Paterson / Mark A Williams / David R Hall / Daniel K Clare / Andrew Howe / Philip J R Goulder / Elizabeth E Fry / Michael S Diamond / Juthathip Mongkolsapaya / Jingshan Ren / David I Stuart / Gavin R Screaton /
要旨: Alpha-B.1.1.7, Beta-B.1.351, Gamma-P.1, and Delta-B.1.617.2 variants of SARS-CoV-2 express multiple mutations in the spike protein (S). These may alter the antigenic structure of S, causing escape ...Alpha-B.1.1.7, Beta-B.1.351, Gamma-P.1, and Delta-B.1.617.2 variants of SARS-CoV-2 express multiple mutations in the spike protein (S). These may alter the antigenic structure of S, causing escape from natural or vaccine-induced immunity. Beta is particularly difficult to neutralize using serum induced by early pandemic SARS-CoV-2 strains and is most antigenically separated from Delta. To understand this, we generated 674 mAbs from Beta-infected individuals and performed a detailed structure-function analysis of the 27 most potent mAbs: one binding the spike N-terminal domain (NTD), the rest the receptor-binding domain (RBD). Two of these RBD-binding mAbs recognize a neutralizing epitope conserved between SARS-CoV-1 and -2, while 18 target mutated residues in Beta: K417N, E484K, and N501Y. There is a major response to N501Y, including a public IgVH4-39 sequence, with E484K and K417N also targeted. Recognition of these key residues underscores why serum from Beta cases poorly neutralizes early pandemic and Delta viruses.
履歴
登録2021年10月14日登録サイト: PDBE / 処理サイト: PDBE
改定 1.02021年12月22日Provider: repository / タイプ: Initial release
改定 1.12021年12月29日Group: Database references / カテゴリ: citation / citation_author
Item: _citation.pdbx_database_id_PubMed / _citation.title / _citation_author.name
改定 1.22022年1月26日Group: Database references / カテゴリ: citation
Item: _citation.journal_volume / _citation.page_first / _citation.year
改定 1.32024年1月31日Group: Data collection / Refinement description
カテゴリ: chem_comp_atom / chem_comp_bond / pdbx_initial_refinement_model

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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
E: Spike protein S1
H: FI-3A Fab heavy chain
L: FI-3A Fab light chain
B: Beta-49 Fab light chain
A: Beta-49 Fab heavy chain
ヘテロ分子


分子量 (理論値)分子数
合計 (水以外)121,11650
ポリマ-117,5305
非ポリマー3,58645
5,711317
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
  • 根拠: homology
タイプ名称対称操作
identity operation1_555x,y,z1
Buried area21590 Å2
ΔGint-179 kcal/mol
Surface area44650 Å2
手法PISA
単位格子
Length a, b, c (Å)89.292, 106.538, 215.611
Angle α, β, γ (deg.)90.000, 90.000, 90.000
Int Tables number19
Space group name H-MP212121
Space group name HallP2ac2ab
Symmetry operation#1: x,y,z
#2: x+1/2,-y+1/2,-z
#3: -x,y+1/2,-z+1/2
#4: -x+1/2,-y,z+1/2

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要素

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抗体 , 4種, 4分子 HLBA

#2: 抗体 FI-3A Fab heavy chain


分子量: 23521.436 Da / 分子数: 1 / 由来タイプ: 組換発現 / 由来: (組換発現) Homo sapiens (ヒト) / 発現宿主: Homo sapiens (ヒト)
#3: 抗体 FI-3A Fab light chain


分子量: 23364.842 Da / 分子数: 1 / 由来タイプ: 組換発現 / 由来: (組換発現) Homo sapiens (ヒト) / 発現宿主: Homo sapiens (ヒト)
#4: 抗体 Beta-49 Fab light chain


分子量: 23566.121 Da / 分子数: 1 / 由来タイプ: 組換発現 / 由来: (組換発現) Homo sapiens (ヒト) / 発現宿主: Homo sapiens (ヒト)
#5: 抗体 Beta-49 Fab heavy chain


分子量: 23431.438 Da / 分子数: 1 / 由来タイプ: 組換発現 / 由来: (組換発現) Homo sapiens (ヒト) / 発現宿主: Homo sapiens (ヒト)

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タンパク質 / , 2種, 2分子 E

#1: タンパク質 Spike protein S1


分子量: 23646.551 Da / 分子数: 1 / 由来タイプ: 組換発現
由来: (組換発現) Severe acute respiratory syndrome coronavirus 2 (SARSコロナウイルス2)
遺伝子: S, 2 / 発現宿主: Homo sapiens (ヒト) / 参照: UniProt: P0DTC2
#6: 多糖 alpha-D-mannopyranose-(1-3)-beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1- ...alpha-D-mannopyranose-(1-3)-beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose


タイプ: oligosaccharideオリゴ糖 / 分子量: 894.823 Da / 分子数: 1 / 由来タイプ: 組換発現
記述子タイププログラム
DManpa1-3DManpb1-4DGlcpNAcb1-4[LFucpa1-6]DGlcpNAcb1-Glycam Condensed SequenceGMML 1.0
WURCS=2.0/4,5,4/[a2122h-1b_1-5_2*NCC/3=O][a1122h-1b_1-5][a1122h-1a_1-5][a1221m-1a_1-5]/1-1-2-3-4/a4-b1_a6-e1_b4-c1_c3-d1WURCSPDB2Glycan 1.1.0
[]{[(4+1)][b-D-GlcpNAc]{[(4+1)][b-D-GlcpNAc]{[(4+1)][b-D-Manp]{[(3+1)][a-D-Manp]{}}}[(6+1)][a-L-Fucp]{}}}LINUCSPDB-CARE

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非ポリマー , 5種, 361分子

#7: 化合物
ChemComp-GOL / GLYCEROL / GLYCERIN / PROPANE-1,2,3-TRIOL / グリセロ-ル / グリセリン


分子量: 92.094 Da / 分子数: 13 / 由来タイプ: 合成 / : C3H8O3
#8: 化合物
ChemComp-CL / CHLORIDE ION / クロリド / 塩化物


分子量: 35.453 Da / 分子数: 14 / 由来タイプ: 合成 / : Cl
#9: 化合物
ChemComp-K / POTASSIUM ION / カリウムカチオン


分子量: 39.098 Da / 分子数: 14 / 由来タイプ: 合成 / : K
#10: 化合物 ChemComp-TAR / D(-)-TARTARIC ACID / D-酒石酸 / 酒石酸


分子量: 150.087 Da / 分子数: 3 / 由来タイプ: 合成 / : C4H6O6
#11: 水 ChemComp-HOH / water /


分子量: 18.015 Da / 分子数: 317 / 由来タイプ: 天然 / : H2O

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詳細

研究の焦点であるリガンドがあるかY

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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: 4.36 Å3/Da / 溶媒含有率: 71.81 %
結晶化温度: 293 K / 手法: 蒸気拡散法, シッティングドロップ法
詳細: 0.2 M Potassium sodium tartrate tetrahydrate, 0.1 M BIS-TRIS pH 6.5, 10% w/v Polyethylene glycol 10,000

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データ収集

回折平均測定温度: 100 K / Serial crystal experiment: N
放射光源由来: シンクロトロン / サイト: Diamond / ビームライン: I03 / 波長: 0.9763 Å
検出器タイプ: DECTRIS EIGER2 XE 16M / 検出器: PIXEL / 日付: 2021年10月9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: 0.9763 Å / 相対比: 1
反射解像度: 1.823→108 Å / Num. obs: 93868 / % possible obs: 94.9 % / 冗長度: 13.8 % / Biso Wilson estimate: 34.38 Å2 / CC1/2: 0.999 / Rmerge(I) obs: 0.095 / Rpim(I) all: 0.027 / Net I/σ(I): 18.3
反射 シェル解像度: 1.823→2.049 Å / Mean I/σ(I) obs: 1.9 / Num. unique obs: 4694 / CC1/2: 0.711

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解析

ソフトウェア
名称バージョン分類
GDA1.19_4092データ収集
PHENIX1.19_4092精密化
xia2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: 7PQY
解像度: 1.82→107.81 Å / SU ML: 0.2006 / 交差検証法: FREE R-VALUE / σ(F): 1.34 / 位相誤差: 34.4398
立体化学のターゲット値: GeoStd + Monomer Library + CDL v1.2
Rfactor反射数%反射
Rfree0.2241 4708 5.02 %
Rwork0.1917 89133 -
obs0.1934 93841 51.21 %
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: 46.63 Å2
精密化ステップサイクル: LAST / 解像度: 1.82→107.81 Å
タンパク質核酸リガンド溶媒全体
原子数8068 0 196 317 8581
拘束条件
Refine-IDタイプDev ideal
X-RAY DIFFRACTIONf_bond_d0.00838409
X-RAY DIFFRACTIONf_angle_d0.9711417
X-RAY DIFFRACTIONf_chiral_restr0.05511290
X-RAY DIFFRACTIONf_plane_restr0.00711452
X-RAY DIFFRACTIONf_dihedral_angle_d13.19723009
LS精密化 シェル
解像度 (Å)Rfactor RfreeNum. reflection RfreeRfactor RworkNum. reflection RworkRefine-ID% reflection obs (%)
1.82-1.840.250730.260661X-RAY DIFFRACTION1.07
1.84-1.870.3416140.3055191X-RAY DIFFRACTION3.41
1.87-1.890.373980.3009209X-RAY DIFFRACTION3.61
1.89-1.910.3914190.3048393X-RAY DIFFRACTION6.82
1.91-1.940.2989190.2702530X-RAY DIFFRACTION9.08
1.94-1.960.3296330.2827577X-RAY DIFFRACTION10.19
1.96-1.990.3064430.2514674X-RAY DIFFRACTION11.88
1.99-2.020.3093390.2681870X-RAY DIFFRACTION14.94
2.02-2.050.2632470.2591119X-RAY DIFFRACTION19.38
2.05-2.090.2684700.2711419X-RAY DIFFRACTION24.59
2.09-2.120.2756740.28261693X-RAY DIFFRACTION29.15
2.12-2.160.33711030.27461926X-RAY DIFFRACTION33.59
2.16-2.20.34751100.28592149X-RAY DIFFRACTION37.21
2.2-2.250.30311180.28662342X-RAY DIFFRACTION40.42
2.25-2.30.27041280.27432526X-RAY DIFFRACTION43.73
2.3-2.350.31521260.27272724X-RAY DIFFRACTION46.86
2.35-2.410.27991620.26592935X-RAY DIFFRACTION50.93
2.41-2.470.27661760.26733214X-RAY DIFFRACTION55.56
2.47-2.550.26391960.25613486X-RAY DIFFRACTION60.65
2.55-2.630.27692110.26383845X-RAY DIFFRACTION66.4
2.63-2.720.31222100.25484313X-RAY DIFFRACTION73.99
2.72-2.830.28122670.2464891X-RAY DIFFRACTION84.65
2.83-2.960.27923040.23685703X-RAY DIFFRACTION97.87
2.96-3.120.26673290.21225768X-RAY DIFFRACTION99.98
3.12-3.310.21823180.1885834X-RAY DIFFRACTION99.87
3.31-3.570.20963360.16485840X-RAY DIFFRACTION100
3.57-3.930.20853150.14955847X-RAY DIFFRACTION99.98
3.93-4.50.14493130.12595917X-RAY DIFFRACTION99.98
4.5-5.660.15253010.13955961X-RAY DIFFRACTION99.98
5.67-107.810.26553160.23086176X-RAY DIFFRACTION99.54
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)
16.60093675912-1.4936756332-4.288903384943.148177378921.703766980386.27968024704-0.0872983178873-0.233571083795-0.4256714587710.0890024759489-0.2194371931120.1383286396950.331615434536-0.5023347099840.2929781583240.267383978219-0.002813452319680.02369552459180.5802095826010.05225098713660.215486196641-25.6649124161-11.406576076689.1194270713
23.26043089003-0.128827273537-1.21951642433.38980699701-0.1807079299094.281860150760.230060838373-0.03943452759020.6001691078390.0124649650212-0.01278493917060.380995066623-0.666540446225-0.544888047041-0.05440852045280.3086318114730.08155196052460.04324773966030.59104887722-0.01012503342350.320821940639-25.2868193325-1.7205043347380.6510844639
33.029209162170.0779927565495-0.754666129032.988157552770.5816955651824.129912560070.079516928297-0.377779792202-0.02669016151760.237702552383-0.00301116551976-0.19364477419-0.08170805567240.137939987474-0.08682205665090.244046336792-0.05690322518820.01890111789230.4729119125520.05292669543020.198389416144-13.7671389562-7.2248160340279.4004752764
44.16402057957-0.463922487263-1.669891194571.62915977940.5847541394223.01689170404-0.09235456332880.128175588238-0.633589778993-0.261437854543-0.0720878139757-0.1861131888240.464074861429-0.4214060349860.1902974921590.3531277195880.009537943131120.07139153892320.394938023290.04345961491660.30115517368-11.9539024952-19.099986881368.2508393933
52.50456816927-1.06716807136-1.01050299272.66989426791.218522962163.011804389870.161488861089-0.4640925311080.07229000436030.0258837489435-0.0370738857315-0.4924903871520.0446091931060.216043667034-0.1013033692550.2933921180350.0002841371734860.02435371250190.4453840435350.1026129054990.257563463298-7.69242496793-9.1330690123877.5293448763
68.290543513938.139656071682.075526853077.994787756532.108988846712.092587623490.123037711411-0.1676976971730.6893904361530.0858318987495-0.4263463713661.076116870.0987517332796-0.6593574752280.5211835272971.03068682689-0.1641698030240.01238693984611.49699353045-0.1501407430831.01265873928-41.9624085615-9.4267047175984.0978613088
71.450337759560.08903917588820.04311025663523.25345270268-3.062006954086.98213789130.07894135598240.812907352093-0.0647560233874-0.264842633994-0.483167657185-0.4206994728130.8724307616030.732835589328-0.01899033834870.207155406509-0.0114265007825-0.03669043486810.536842178295-0.04151510168310.127164718955-1.62705494082-2.1656154756342.9103693928
82.75341845906-0.1406208618020.09098746409133.09216520499-1.486405315043.99584931316-0.1659358215970.161108845881-0.174695909325-0.0432716112253-0.064516012277-0.1235953197890.1219030694110.1637005322540.2385013189290.1705659657910.01931332335280.004433362224690.3162211259290.01596584903090.139124821384-4.15815519461-3.180614318354.4371430475
90.8396776993510.662022781922-1.275773128420.908120381875-1.340145167152.98472401480.01700268503240.276393149135-0.1091576539610.068417319679-0.05656586467890.1552070653450.2362868870270.1241120727080.02376121984690.1693521454270.0300832814387-0.03406661035490.4310841021350.02861574888220.171819713394-3.75579470975-0.28722020982549.006288626
102.840530944270.8171869927970.4783659529981.17729331908-0.3767694837092.681858834730.07903631270410.0765983006308-0.367743875563-0.08868445421310.0922556258459-0.2729104212560.06433620024430.105353027669-0.03425782633940.1426225575660.0079732047791-0.004163706587850.445020276085-0.02132249512430.32450008736620.88191590518.2754405861232.2755382312
112.734774315930.235881828967-1.067169015183.26041691661-1.113393801553.490149456660.03353234244770.94154926126-1.16225104988-0.2350965661120.27509845655-0.3630586533440.07780096765810.2888053094640.04217664137330.249745756414-0.0361928523556-0.002736819425890.59286825126-0.2023043486780.45164650629419.91396287361.8197913911325.7341754879
125.079650704142.64043559251-0.966436092481.57721414049-0.2086853670162.68473295532-0.08468226508590.121151282690.6667110076040.04402332186640.0589793455367-0.0318096133895-0.4917563796880.64291493845-0.02893271637370.300116267976-0.0927015680448-0.117945591670.5962160183330.05130605090020.26657562530314.92340320811.636901416565.0500756152
133.971829616910.8276317088181.307622457152.019370713460.05345985610573.196490427850.0690687697202-0.351475264302-0.06261936470290.271687592707-0.128137430071-0.006505755405210.06229898875910.5215643055260.09436079137120.2578179495040.00242205084937-0.03212667325720.5939187745280.04664572597960.15231274428610.55283303822.8547220632265.9144198016
146.165691966362.64694071325-5.47840504381.18027849436-2.303891999564.910639490840.0520944610524-0.915326436857-0.5326236293290.362610282326-0.452821169087-0.3467985267150.1166124556480.04149774055030.1490673835570.276787926607-0.07297647055-0.1180912515810.7631239442750.09467971154710.31453025734728.920972556812.168081811453.5994941845
154.459520681950.01910828657041.536988195912.28443918725-1.664798038974.34762713586-0.04366895193640.00892212742992-0.250610101093-0.1572160470640.132298192072-0.1713902919190.2511594114920.100740621725-0.1248024809050.175405712235-0.04846108075280.01706842853990.485877691618-0.02731697675450.18374921459424.212550552316.618328225832.829458911
164.4690942325-0.5430426365840.4788638354916.96378248244-5.325222467745.12340624482-0.132381016333-0.3317200651420.1009982466580.794945264758-0.0077050289481-0.0320937971384-0.53147037317-0.2922823186340.0373906168820.258857616465-0.04686233073340.04330354508280.497366393484-0.004360724303820.23137842198425.527528755829.94471917634.3895391593
173.740905859310.161512440530.9310284882073.22926373818-2.948884101774.712259043630.01649681890510.1468092596130.0369161847351-0.0551141510030.121927698886-0.0849092727310.02149138168190.0311014897329-0.1644646477280.171190408377-0.0002321274710430.006169514370080.429659777377-0.0568029892010.16361489219425.445052452521.048979816334.9066423636
186.564227883090.5138115209241.251819437112.663833039480.03231877574.93687235442-0.0120784488115-0.0185544890409-0.693882917273-0.2367128570110.2161897476220.0002324247482460.8387820948240.05219282054960.06298026474680.3995339945030.1090407039290.02803408118820.569799293934-0.1072471776310.27802942691-13.667163073-22.5675620433111.406467564
193.95742952738-0.78240440475-0.2755329733622.929966204280.965133303548.875659537740.02624898097840.302138577490.201581860514-0.3307921940960.145538148170.0225972977561-0.4391109226920.814653603483-0.179900324170.2497176970710.005761052509970.04941068537830.539811062867-0.04949471211220.198168075045-16.5305027564-10.138788026111.520044029
203.35101933361-1.42499191733-0.3279399795781.81523366191-0.9257421023345.348176694790.1228437307720.4827050094050.223284704718-0.262439591488-0.240540708116-0.06196204533650.2830686143770.710685018430.009056546978450.2321463834890.03275944257180.0132413229180.721205584844-0.09999611028460.263175517176-11.2333157841-13.6437520135104.306625109
210.657596082296-0.1716968507630.3224889888080.726036463289-0.4831341412133.54975225531-0.04092795778050.524166587245-0.0265576996247-0.1796512858630.0197605436871-0.09268218674990.3485042735390.6642702673230.1521724624410.2374094443660.0666936373460.04569039557840.597859547505-0.1102115484990.294687498512-12.2194964428-15.8983589266116.232238633
227.02485677646-2.21283296944-3.120228410352.7393499332-0.3066376777118.76652365068-0.409275643712-0.461198722896-0.5257776137960.1776617170670.1976503495820.05103361697080.679781644518-0.03752718366210.2547513683740.263987012704-0.004557958514060.06353319705450.443817480715-0.01249713221140.322943246125-12.8508204165-18.6035496156146.060194513
236.775227029471.38884091586-2.552521028973.84866594434-1.189084402533.498572287430.04106397518540.642792380168-0.8982046856630.330290043186-0.198216929844-0.0184115513020.461778363047-0.2715521249230.2412703711420.1736889797630.002041413552340.03649984469810.485347621338-0.1092620582680.373779832125-11.9538709537-18.9888416293137.857944617
244.826750975580.199376166196-0.08207624652543.53369811309-1.202016965446.57283098735-0.600229146877-0.833671081211-0.7680431364520.2032843911960.1497698224770.1472833563631.200006108890.01119337502450.3269448034980.4648618221180.07006103629860.151169448220.4481105325160.05563591182650.440573118694-14.0500286417-24.016618771150.620285896
251.07003982058-0.211662852507-0.8875594029640.6366187821361.251593346865.399274454270.06702708880250.1685011096560.229958382191-0.247683241659-0.05374144505060.059085050579-0.162014869544-0.474138827508-0.02001294827380.192236759135-0.002776594616880.0112884242920.564389380465-0.01067370722410.24725984128-32.8633719842-5.58004608653117.260476653
263.90906196316-4.11790668791-4.076535567797.348410055792.376379714755.47273279237-0.386815086707-1.18570537241-0.262896923280.8486084278870.333795697025-0.005434849023070.8728863154380.7703872283420.1642834041350.2621075543080.04990142217-0.1134707030110.688153383958-0.09904474832530.365164588557-6.93651864793-12.9598212412152.405205143
275.44204226866-1.58407354842-0.4417289398140.521620021418-0.06262119659381.68353431352-0.106371189585-0.1179631445170.6843888775410.1307993112150.00612235036985-0.273852713094-0.1508741136380.07828830340650.1894061241830.186751460753-0.00565925085468-0.03107714853940.436122615579-0.08601733139360.38890484323-11.4493749712-3.98395894923145.315006446
精密化 TLSグループ

Refine-ID: X-RAY DIFFRACTION

IDRefine TLS-IDSelection detailsAuth asym-IDLabel asym-IDAuth seq-IDLabel seq-ID
11chain 'E' and (resid 333 through 364 )EA333 - 3641 - 32
22chain 'E' and (resid 365 through 421 )EA365 - 42133 - 89
33chain 'E' and (resid 422 through 459 )EA422 - 45990 - 127
44chain 'E' and (resid 460 through 479 )EA460 - 479128 - 147
55chain 'E' and (resid 480 through 516 )EA480 - 516148 - 184
66chain 'E' and (resid 517 through 528 )EA517 - 528185 - 196
77chain 'H' and (resid 1 through 17 )HK1 - 171 - 17
88chain 'H' and (resid 18 through 59 )HK18 - 5918 - 59
99chain 'H' and (resid 60 through 123 )HK60 - 12360 - 123
1010chain 'H' and (resid 124 through 192 )HK124 - 192124 - 192
1111chain 'H' and (resid 193 through 218 )HK193 - 218193 - 218
1212chain 'L' and (resid 1 through 18 )LQ1 - 181 - 18
1313chain 'L' and (resid 19 through 102 )LQ19 - 10219 - 102
1414chain 'L' and (resid 103 through 113 )LQ103 - 113103 - 113
1515chain 'L' and (resid 114 through 144 )LQ114 - 144114 - 144
1616chain 'L' and (resid 145 through 155 )LQ145 - 155145 - 155
1717chain 'L' and (resid 156 through 214 )LQ156 - 214156 - 214
1818chain 'B' and (resid 1 through 30 )BS1 - 301 - 30
1919chain 'B' and (resid 31 through 49 )BS31 - 4931 - 49
2020chain 'B' and (resid 50 through 76 )BS50 - 7650 - 76
2121chain 'B' and (resid 77 through 115 )BS77 - 11577 - 115
2222chain 'B' and (resid 116 through 152 )BS116 - 152116 - 152
2323chain 'B' and (resid 153 through 176 )BS153 - 176153 - 176
2424chain 'B' and (resid 177 through 216 )BS177 - 216177 - 216
2525chain 'A' and (resid 1 through 124 )AW1 - 1241 - 124
2626chain 'A' and (resid 125 through 139 )AW125 - 139125 - 139
2727chain 'A' and (resid 140 through 219 )AW140 - 219140 - 219

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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

  • 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

他の情報も見る