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- PDB-7zlm: Crystal structure of SOCS2:ElonginB:ElonginC in complex with comp... -

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基本情報

登録情報
データベース: PDB / ID: 7zlm
タイトルCrystal structure of SOCS2:ElonginB:ElonginC in complex with compound MN551
要素
  • Elongin-B
  • Elongin-C
  • Suppressor of cytokine signaling 2
キーワードLIGASE / E3 ligase / suppressor of cytokine signaling
機能・相同性
機能・相同性情報


JAK pathway signal transduction adaptor activity / negative regulation of receptor signaling pathway via JAK-STAT / 1-phosphatidylinositol-3-kinase regulator activity / target-directed miRNA degradation / elongin complex / VCB complex / phosphatidylinositol 3-kinase complex / growth hormone receptor binding / Cul5-RING ubiquitin ligase complex / growth hormone receptor signaling pathway ...JAK pathway signal transduction adaptor activity / negative regulation of receptor signaling pathway via JAK-STAT / 1-phosphatidylinositol-3-kinase regulator activity / target-directed miRNA degradation / elongin complex / VCB complex / phosphatidylinositol 3-kinase complex / growth hormone receptor binding / Cul5-RING ubiquitin ligase complex / growth hormone receptor signaling pathway / Cul2-RING ubiquitin ligase complex / negative regulation of multicellular organism growth / cell surface receptor signaling pathway via JAK-STAT / Pausing and recovery of Tat-mediated HIV elongation / Tat-mediated HIV elongation arrest and recovery / phosphatidylinositol phosphate biosynthetic process / HIV elongation arrest and recovery / Pausing and recovery of HIV elongation / regulation of signal transduction / Tat-mediated elongation of the HIV-1 transcript / mammary gland alveolus development / Formation of HIV-1 elongation complex containing HIV-1 Tat / Formation of HIV elongation complex in the absence of HIV Tat / RNA Polymerase II Transcription Elongation / Formation of RNA Pol II elongation complex / Growth hormone receptor signaling / cellular response to hormone stimulus / RNA Polymerase II Pre-transcription Events / Negative regulation of FLT3 / lactation / positive regulation of neuron differentiation / Interleukin-7 signaling / transcription corepressor binding / transcription elongation by RNA polymerase II / regulation of cell growth / TP53 Regulates Transcription of DNA Repair Genes / transcription initiation at RNA polymerase II promoter / Vif-mediated degradation of APOBEC3G / insulin-like growth factor receptor binding / Oxygen-dependent proline hydroxylation of Hypoxia-inducible Factor Alpha / Inactivation of CSF3 (G-CSF) signaling / Evasion by RSV of host interferon responses / Regulation of expression of SLITs and ROBOs / Antigen processing: Ubiquitination & Proteasome degradation / positive regulation of proteasomal ubiquitin-dependent protein catabolic process / response to estradiol / protein-macromolecule adaptor activity / Neddylation / ubiquitin-dependent protein catabolic process / protein-containing complex assembly / protein ubiquitination / intracellular signal transduction / ubiquitin protein ligase binding / regulation of transcription by RNA polymerase II / negative regulation of apoptotic process / nucleoplasm / cytoplasm / cytosol
類似検索 - 分子機能
Suppressor of cytokine signalling 2 / SOCS2, SH2 domain / suppressors of cytokine signalling / SOCS box / SOCS box-like domain superfamily / SOCS box domain / SOCS box domain profile. / SOCS_box / Elongin B / Elongin-C ...Suppressor of cytokine signalling 2 / SOCS2, SH2 domain / suppressors of cytokine signalling / SOCS box / SOCS box-like domain superfamily / SOCS box domain / SOCS box domain profile. / SOCS_box / Elongin B / Elongin-C / S-phase kinase-associated protein 1-like / SKP1 component, POZ domain / Skp1 family, tetramerisation domain / Found in Skp1 protein family / SKP1/BTB/POZ domain superfamily / SH2 domain / Src homology 2 (SH2) domain profile. / Src homology 2 domains / SH2 domain / SH2 domain superfamily / Ubiquitin family / Ubiquitin homologues / Ubiquitin domain profile. / Ubiquitin-like domain / Ubiquitin-like domain superfamily
類似検索 - ドメイン・相同性
Chem-JIH / Suppressor of cytokine signaling 2 / Elongin-C / Elongin-B
類似検索 - 構成要素
生物種Homo sapiens (ヒト)
手法X線回折 / シンクロトロン / 分子置換 / 解像度: 1.79 Å
データ登録者Ramachandran, S. / Ciulli, A. / Makukhin, N.
資金援助European Union, スイス, 2件
組織認可番号
European Research Council (ERC)ERC-2012-StG-311460 DrugE3CRLsEuropean Union
Innovative Medicines Initiative875510 スイス
引用ジャーナル: Nat Commun / : 2023
タイトル: Structure-based design of a phosphotyrosine-masked covalent ligand targeting the E3 ligase SOCS2.
著者: Ramachandran, S. / Makukhin, N. / Haubrich, K. / Nagala, M. / Forrester, B. / Lynch, D.M. / Casement, R. / Testa, A. / Bruno, E. / Gitto, R. / Ciulli, A.
履歴
登録2022年4月15日登録サイト: PDBE / 処理サイト: PDBE
改定 1.02023年4月26日Provider: repository / タイプ: Initial release
改定 1.12023年10月11日Group: Data collection / Database references / カテゴリ: chem_comp_atom / chem_comp_bond / citation / Item: _citation.pdbx_database_id_DOI / _citation.year
改定 1.22023年10月25日Group: Database references / カテゴリ: citation / citation_author
Item: _citation.country / _citation.journal_abbrev ..._citation.country / _citation.journal_abbrev / _citation.journal_id_CSD / _citation.journal_id_ISSN / _citation.journal_volume / _citation.page_first / _citation.page_last / _citation.pdbx_database_id_PubMed / _citation.title
改定 1.32024年5月1日Group: Refinement description / カテゴリ: 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
A: Suppressor of cytokine signaling 2
B: Elongin-B
C: Elongin-C
D: Suppressor of cytokine signaling 2
E: Elongin-B
F: Elongin-C
G: Suppressor of cytokine signaling 2
H: Elongin-B
I: Elongin-C
J: Suppressor of cytokine signaling 2
K: Elongin-B
L: Elongin-C
ヘテロ分子


分子量 (理論値)分子数
合計 (水以外)175,89416
ポリマ-173,58312
非ポリマー2,3124
16,556919
1
A: Suppressor of cytokine signaling 2
B: Elongin-B
C: Elongin-C
ヘテロ分子


分子量 (理論値)分子数
合計 (水以外)43,9744
ポリマ-43,3963
非ポリマー5781
543
タイプ名称対称操作
identity operation1_555x,y,z1
Buried area4450 Å2
ΔGint-41 kcal/mol
Surface area16580 Å2
手法PISA
2
D: Suppressor of cytokine signaling 2
E: Elongin-B
F: Elongin-C
ヘテロ分子


分子量 (理論値)分子数
合計 (水以外)43,9744
ポリマ-43,3963
非ポリマー5781
543
タイプ名称対称操作
identity operation1_555x,y,z1
Buried area4540 Å2
ΔGint-43 kcal/mol
Surface area16230 Å2
手法PISA
3
G: Suppressor of cytokine signaling 2
H: Elongin-B
I: Elongin-C
ヘテロ分子


分子量 (理論値)分子数
合計 (水以外)43,9744
ポリマ-43,3963
非ポリマー5781
543
タイプ名称対称操作
identity operation1_555x,y,z1
Buried area4430 Å2
ΔGint-42 kcal/mol
Surface area15950 Å2
手法PISA
4
J: Suppressor of cytokine signaling 2
K: Elongin-B
L: Elongin-C
ヘテロ分子


分子量 (理論値)分子数
合計 (水以外)43,9744
ポリマ-43,3963
非ポリマー5781
543
タイプ名称対称操作
identity operation1_555x,y,z1
Buried area4470 Å2
ΔGint-42 kcal/mol
Surface area16360 Å2
手法PISA
単位格子
Length a, b, c (Å)59.785, 172.879, 185.809
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

#1: タンパク質
Suppressor of cytokine signaling 2 / SOCS-2 / Cytokine-inducible SH2 protein 2 / CIS-2 / STAT-induced STAT inhibitor 2 / SSI-2


分子量: 19273.268 Da / 分子数: 4 / 由来タイプ: 組換発現 / 由来: (組換発現) Homo sapiens (ヒト) / 遺伝子: SOCS2, CIS2, SSI2, STATI2 / 発現宿主: Escherichia coli BL21(DE3) (大腸菌) / 参照: UniProt: O14508
#2: タンパク質
Elongin-B / EloB / Elongin 18 kDa subunit / RNA polymerase II transcription factor SIII subunit B / SIII p18 / ...EloB / Elongin 18 kDa subunit / RNA polymerase II transcription factor SIII subunit B / SIII p18 / Transcription elongation factor B polypeptide 2


分子量: 13147.781 Da / 分子数: 4 / 由来タイプ: 組換発現 / 由来: (組換発現) Homo sapiens (ヒト) / 遺伝子: ELOB, TCEB2 / 発現宿主: Escherichia coli BL21(DE3) (大腸菌) / 参照: UniProt: Q15370
#3: タンパク質
Elongin-C / EloC / Elongin 15 kDa subunit / RNA polymerase II transcription factor SIII subunit C / SIII p15 / ...EloC / Elongin 15 kDa subunit / RNA polymerase II transcription factor SIII subunit C / SIII p15 / Transcription elongation factor B polypeptide 1


分子量: 10974.616 Da / 分子数: 4 / 由来タイプ: 組換発現 / 由来: (組換発現) Homo sapiens (ヒト) / 遺伝子: ELOC, TCEB1 / 発現宿主: Escherichia coli BL21(DE3) (大腸菌) / 参照: UniProt: Q15369
#4: 化合物
ChemComp-JIH / [4-[(2~{S})-3-[[3-(2-chloranylethanoylamino)phenyl]methylamino]-2-[2-(4-fluorophenyl)ethanoylamino]-3-oxidanylidene-propyl]phenyl] dihydrogen phosphate


分子量: 577.926 Da / 分子数: 4 / 由来タイプ: 合成 / : C26H26ClFN3O7P / タイプ: SUBJECT OF INVESTIGATION
#5: 水 ChemComp-HOH / water


分子量: 18.015 Da / 分子数: 919 / 由来タイプ: 天然 / : H2O
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: 2.77 Å3/Da / 溶媒含有率: 55.53 %
結晶化温度: 277 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 propane 6.5, 20 % w/v PEG 3350 with seeding

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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: ESRF / ビームライン: MASSIF-1 / 波長: 0.966 Å
検出器タイプ: DECTRIS PILATUS3 2M / 検出器: PIXEL / 日付: 2020年11月26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: 0.966 Å / 相対比: 1
反射解像度: 1.79→78.37 Å / Num. obs: 181660 / % possible obs: 99.3 % / 冗長度: 4.5 % / Biso Wilson estimate: 29.52 Å2 / CC1/2: 0.991 / Net I/σ(I): 7
反射 シェル解像度: 1.79→1.82 Å / Rmerge(I) obs: 1.605 / Num. unique obs: 8234 / CC1/2: 0.351

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解析

ソフトウェア
名称バージョン分類
Cootモデル構築
PHENIX1.19.2_4158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: SBC

解像度: 1.79→78.37 Å / SU ML: 0.2662 / 交差検証法: FREE R-VALUE / σ(F): 1.33 / 位相誤差: 21.4531
立体化学のターゲット値: GeoStd + Monomer Library + CDL v1.2
Rfactor反射数%反射
Rfree0.217 8980 4.95 %
Rwork0.1893 172451 -
obs0.1907 181431 99.21 %
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: 37.61 Å2
精密化ステップサイクル: LAST / 解像度: 1.79→78.37 Å
タンパク質核酸リガンド溶媒全体
原子数10738 0 152 919 11809
拘束条件
Refine-IDタイプDev ideal
X-RAY DIFFRACTIONf_bond_d0.007611175
X-RAY DIFFRACTIONf_angle_d0.936615155
X-RAY DIFFRACTIONf_chiral_restr0.0591729
X-RAY DIFFRACTIONf_plane_restr0.00711911
X-RAY DIFFRACTIONf_dihedral_angle_d9.61841610
LS精密化 シェル
解像度 (Å)Rfactor RfreeNum. reflection RfreeRfactor RworkNum. reflection RworkRefine-ID% reflection obs (%)
1.79-1.810.45182450.43754976X-RAY DIFFRACTION86.18
1.81-1.830.47172950.40815670X-RAY DIFFRACTION99.43
1.83-1.850.38253140.36245651X-RAY DIFFRACTION99.67
1.85-1.870.34463060.31535767X-RAY DIFFRACTION99.75
1.87-1.90.3052790.28085690X-RAY DIFFRACTION99.62
1.9-1.920.2972950.25765742X-RAY DIFFRACTION99.52
1.92-1.950.2482930.23925724X-RAY DIFFRACTION99.59
1.95-1.980.27353020.22245703X-RAY DIFFRACTION99.6
1.98-2.010.23523110.21835687X-RAY DIFFRACTION99.5
2.01-2.050.25212940.20695727X-RAY DIFFRACTION99.69
2.05-2.080.25432960.20715754X-RAY DIFFRACTION99.74
2.08-2.120.22492910.21065729X-RAY DIFFRACTION99.73
2.12-2.160.26052770.20975749X-RAY DIFFRACTION99.65
2.16-2.20.23343120.21285743X-RAY DIFFRACTION99.65
2.2-2.250.23373090.21595712X-RAY DIFFRACTION99.73
2.25-2.30.24543380.20115742X-RAY DIFFRACTION99.66
2.3-2.360.23693160.18765699X-RAY DIFFRACTION99.8
2.36-2.420.21063210.19125729X-RAY DIFFRACTION99.74
2.42-2.50.23042930.18745825X-RAY DIFFRACTION99.8
2.5-2.580.22772850.18875754X-RAY DIFFRACTION99.72
2.58-2.670.20962980.18535745X-RAY DIFFRACTION99.46
2.67-2.780.21483080.18695782X-RAY DIFFRACTION99.74
2.78-2.90.22652580.19665855X-RAY DIFFRACTION99.77
2.9-3.050.22032950.19435795X-RAY DIFFRACTION99.89
3.05-3.250.22632970.18085829X-RAY DIFFRACTION99.84
3.25-3.50.19322900.17385867X-RAY DIFFRACTION99.84
3.5-3.850.19972870.16125860X-RAY DIFFRACTION99.64
3.85-4.410.15183230.14175835X-RAY DIFFRACTION99.26
4.41-5.550.18763400.16085917X-RAY DIFFRACTION99.41
5.55-78.370.21033120.18776193X-RAY DIFFRACTION99.57
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)
15.337217301584.89102789002-5.562315554344.45920873452-5.347129122436.774815070140.06613003253050.05891090571270.1463272277470.039872455319-0.05921459141420.433335602126-0.0280255282854-0.3766048461690.02557290138940.2590941029-0.0198883499438-0.007853838726590.29514534046-0.03618149329020.253815552721-19.4833587541-38.0098152081-15.770183665
23.02018441187-0.958751522170.3452856786723.85342708034-0.1175223599264.525287617660.153511496467-0.204944978282-0.0106065596030.20542362139-0.024279811051-0.3695342777320.05593679304740.19194238211-0.1023862239470.144705955453-0.0164205557991-0.03079145065550.15320766062-0.006285631206850.126152676004-2.31072468458-30.1445765071-11.5363928691
33.274072978511.287469349543.88800780913.842193374842.864477926555.165733489080.169700497531-0.93811706463-0.2961336473720.416860025131-0.1910399874850.0329406379930.0292380757906-0.33162476885-0.03436290838040.232599616523-0.00233888862695-0.02446274203510.219319151120.03129625960480.164439133927-9.60128932317-30.9297342158-5.4043408999
43.1088297633-3.986369721661.674368865615.6651319146-0.6975624710234.82635385822-0.0796773052869-1.245952697110.1384491834770.67291859204-0.250453912760.120119713741-0.00885679367429-0.7848513329750.3161908541180.257208955415-0.01868170716370.04227374572530.419181510125-0.01668247483250.201618577104-16.7365257704-29.9737166959-2.2647016716
56.488845796710.966986354027-0.6591044387456.792691356380.1944008382194.875256531630.0171335419976-0.3245435045730.5099792555220.385485695478-0.07010803473830.460182660764-0.338725582639-0.2941930680280.036585374820.233531311880.0698581518864-0.005757793993630.282909569633-0.03746601206120.216973622889-17.8492739301-23.5281281902-10.7578317198
64.101545217260.01265272129630.5752160343867.412995433054.758647589063.240724725240.0263855298788-0.1255441986490.1156043610860.4763314118930.07591193235630.002051544265320.1801789906580.167065459737-0.124589174670.270447380024-0.003393023403020.02958513584660.1842026432770.06249237430950.201014743071-6.22469233564-23.9622867842-18.9391402021
76.23295317799-2.4049930667-1.290919617733.80873067471-0.1336116416422.89645527503-0.08331282867250.335035966823-0.2695089113410.030455873878-0.02934665349640.2787715303790.0887241123205-0.4676415462890.1164429182850.183400916811-0.01464979428870.007255841366550.2889273531580.001734554353950.150694478796-20.9126916585-25.4634405553-30.1830524467
83.99042947112-0.188499479734-0.3665900093823.71471529171-0.6386702666644.31025259971-0.0429808432226-0.2051183399720.01074036736520.1330458418450.0752814599671-0.2189451554810.07656414971580.0927239084622-0.02957889812120.1534864878760.0192017573624-0.0006583060950310.186955690949-0.03678352852020.1564008262556.04891810606-19.7549927621-46.7284247755
97.462291594681.578418852620.810769601897.276735820523.437726793027.28963602966-0.3349426036090.17027921971-0.5938895269090.1980731104170.199444344814-0.6587279899140.981521894690.9891994678920.1023403533650.2608810237450.09277354261240.1151315638570.2783498939530.05634593501450.32491972439412.5739945202-22.1795827665-54.319180713
104.20081699917-0.445709600288-0.679777428935.470730542291.372174500197.15162421141-0.1640205494740.2600446724930.0773374882199-0.3879273137960.0182535686377-0.4440776988770.09475638106050.6161161839910.1200214725320.2127889464920.009612955920830.04132632801970.2841527809480.03046611033160.30535148630310.9504027334-16.5140002551-59.3730945322
112.46855883171-2.83916829358-0.5115035670486.0586110473-1.840952501142.36350948979-0.133902963952-0.4728465184581.151002280080.0796400333574-0.0589438485977-0.672349923431-1.111789526780.5184161373460.2818660925610.41348612101-0.0556161206067-0.05403038736720.431928140389-0.005285949001260.47685611641212.6280074099-8.75191408863-49.8467094085
124.718668606231.29168698612-1.07935808223.69117688556-2.134133368818.55626524920.0234242489048-0.38581927260.2957858091980.55750220847-0.387861746527-0.0712791361231-1.234863796290.4167452831090.2473074042460.3404096534950.0102021244461-0.09667122193610.28549193451-0.06870276659690.29386727804511.2573032851-14.5316418405-39.1929468435
132.703580004330.537231035679-0.8598265323942.89452585374-3.346290520946.838459034230.00555415969405-0.05884766514880.1682621277620.1845087008780.0599837005659-0.0846547260034-0.339022634533-0.305415648771-0.1429834462210.1621021919270.00577374720652-0.006899789169430.187552247801-0.01836681711980.2088253824363.65421169727-16.5835280624-47.1591304262
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612.8364956017-0.430343804380.3735699847082.424173014630.1815418099134.84233660651-0.124363234132-0.8713755183820.6147313654090.9914370916830.241961698830.0146177736954-1.16613263442-1.027359653590.08066251137820.6010741426470.222513039379-0.05985966138110.621527630211-0.1510542322620.4117302238323.358452699740.4204026963-42.0646009161
624.747724511110.4484277430810.9901395224265.264652622870.1825326408215.69866662-0.275620774875-0.0266747096494-0.05323994272660.4926875904030.380637536052-0.316492674562-0.0452639264595-0.257174354755-0.100900895960.2992719982640.0525645012256-0.02675112573520.395969942367-0.05424878636560.2555759904327.896954884631.0266661085-50.0788042311
632.84553310149-1.16893304462-2.846292923097.192554625551.322022576223.061102598520.2050499850430.4516682538680.143281916641-0.4342532765540.0475398378342-0.970407438908-0.2963596958050.742403009649-0.1553148858320.376403407878-0.0210418983541-0.02706829089490.6061603184870.05657543096760.41911272491232.116089425129.1035981443-60.8760183569
645.163323953590.9997140821720.9930768335986.035511132653.025437628043.6295952313-0.117705926518-0.8393693621670.02056434674740.0884836495091-0.07809109111440.0207332036421-0.29700995394-0.8210862228920.1985213702470.3546211129160.147225974845-0.01230969575930.5797992302160.01026078155150.20100436979217.425947589831.9707000968-51.0809473839
659.695377345665.898644384026.111848836544.239258517435.192587551248.537888531570.0232829758502-0.128391244960.1706338669870.1199328530980.03323641066130.489901586990.281183246609-0.632592258428-0.08940061899220.316942866208-0.00854057474952-0.03709114416450.2918571308370.01353135193640.328412466729-30.8498063217-28.0657108381-84.2074362193
662.22295764413-0.146241164229-0.438098009174.24602489090.752712394184.19256111170.05525257874360.0677259594248-0.144374641438-0.1212904590010.0194369725126-0.2171856636450.09362017915420.423350719977-0.08416203664120.1800423307550.03044331798130.0006193366317120.194943870879-0.02923340167230.177908214873-14.3777505718-31.2551971791-74.8622495282
676.58495211307-1.249493444351.023396274953.211492298490.6062361271894.81732969143-0.0348327647557-0.295393890354-0.5226124120520.358480503967-0.04419445501260.560844942630.490500669224-0.5155745350240.06665025382620.266026600415-0.05420609553410.05925259777240.2235568939370.01127781498460.245885939042-27.727188115-35.4943828161-72.0270722782
683.46224957210.2271049833-0.4185187886014.99225733893-5.013636740814.98354551167-0.0447613193902-0.0892590588911-0.2798875188420.0629581511142-0.0482653748919-0.4270223412810.0244100812786-0.306017738450.048073872370.2902744267180.00329188510368-0.01176906271050.252256668295-0.07358105031170.192679462373-19.4350896604-23.5696724163-69.0845819956
693.870913478591.08867871872-3.064784832062.6428549845-0.7172826310173.712736540110.0859554080248-0.03556067109320.6178732574550.08687640143490.1267111171750.6205082383050.0625517172444-0.258620926212-0.162175506820.155510380540.001235626979860.0009645394354750.202625647305-0.03033307443990.312776735337-33.3559264613-11.5280119658-70.1175186952
709.07616605735-2.90539861899-0.8128240158178.41424498771-0.9680936894764.75488181758-0.1576833144740.7909004577470.214927753958-0.4630197343290.3406455392861.060065500950.086482183852-0.594799446525-0.1635540530280.214846444689-0.0346013429723-0.06640606833880.3365318241480.01976333044020.378714605962-34.7272795198-14.3420537218-75.4497485998
715.10124572364-0.7290719994870.2007672215845.110003048261.34863384365.41752227187-0.2261471062870.096497679452-0.2368765122670.0131955722614-0.05396059882340.315686234947-0.03234103315860.2640944901920.2080323593140.198377125915-0.0262847397156-0.009290205397660.2416379885480.01931051193910.304303331996-8.305778300363.46978795573-66.3235864282
726.0471601717-0.4578060035221.527514888132.52069093027-0.2312282838772.74442692155-0.04342274020190.2379436770320.464197132744-0.0151506887799-0.0427736331033-0.2100496273290.07290779373140.188185113860.04603622565470.216960199175-0.001820244320460.03120384047360.1616581714080.02766353525720.270570680792-6.612287403695.31645061935-67.6544689393
735.449813457530.420874857570.6926419373327.58216946369-0.6049134875276.05317221825-0.303212261160.4941390251350.366556922494-0.8615119321240.21979276232-1.079447846650.1362434103340.73467020732-0.02370513025930.316646048588-0.07163083374310.07347631902730.331423226175-0.01112567161090.438514158635-0.69714640557511.9377968515-69.3586559004
744.794419669160.745130051196-0.3401483805957.82570743053-0.7190764667465.82754702439-0.06216678859490.04284065097580.758979939158-0.03897452969290.229775713747-0.321581030708-0.4580811609980.446456793679-0.04855054253540.288756302903-0.01806165833860.006963067688740.257041199798-0.02904215765370.487283703837-2.4673991044817.0541366672-63.7615420041
758.5041721846-0.447667664935-2.958199928797.338992414792.465275503482.139698275840.0278171024982-1.49034692740.444874052761.157545195920.330540493324-0.7297725206860.1536859524450.519150786707-0.3803246549140.4119901597360.0423069008481-0.1163802117890.505542084842-0.09697414242090.471861349627-0.8419125007487.54354435716-55.9115757095
765.652429549151.738161403030.1076636218375.221770179293.717032570515.396309411370.177203832642-0.243593776396-0.3557805357011.074120107050.417964824475-0.7120749944320.4191700298660.00178252323019-0.5828087193370.4350200677590.114971850638-0.01985703468470.3502512727280.04672648999980.373298399137-0.132622316134-2.10960600313-60.9410488333
771.424001877142.037288438790.1505925816877.801666113472.291483556621.59313977104-0.159121056023-0.04270320734640.21315440221-0.009494873495450.1896310978930.06167710767130.07153939815180.145543061551-0.04569994007720.2090135456510.02739809325490.001188192695280.2862954442220.007586518731370.286917306959-9.264364923881.29773209407-63.9568105133
788.282452024044.57183484381-0.8123042738214.332131922481.774803747143.057310952460.423826907808-0.8061284610832.500994958190.973534789658-0.5669681401281.73045833716-1.43216385537-0.0635902016855-0.0004624583112750.499556552954-0.008858282331270.003365654789780.486799231243-0.1076482639510.922743073608-4.0100847427726.6298432142-58.6640458118
794.636338345996.098137401191.641640975497.954781722582.097638572512.676580577960.00669425317682-0.2435392028411.565744968380.225045624122-0.3258671503760.821688452387-0.140071035338-0.1222273301530.2269213015620.280331547550.0103926411511-0.0005668355629710.31517150097-0.08778401933150.466431373507-15.109138249213.5063683785-58.611113874
801.37782570366-0.805743163734-0.3355842886290.7739796228011.257817218353.607943932370.188779840855-0.8392444712010.1828073166090.960759228418-0.6870597049091.635108008440.823589408406-0.7589643135410.4097953033790.422262661952-0.1523888099280.2896326616170.66038263469-0.2634104148340.712818713715-35.118549143-5.51892203305-59.7998610651
816.67605155721-0.5391294390933.045752714046.32452585421-0.378760138651.58633408451-0.2696635804680.4377075740841.15282077342-0.3681063873780.147469671490.326763118588-0.345720117323-0.07314024873910.04746391045350.280129198989-0.00610158166468-0.08421900973550.1763159287850.04185521577570.316457332013-18.023287261110.2143060251-74.027440926
823.93999593712.332095741052.507403435655.946300542361.708190419396.81169059739-0.4430839848670.6769449484840.394115755118-0.9491579500520.1507539648920.323562914181-0.6284832132230.4566275517180.250169708740.34234315768-0.00641419458868-0.04479359729730.2860252121310.08518292633150.260161141383-16.86991902094.258433334-80.1246260854
837.686426024041.14879392092-1.999159747116.8533887088-3.674488868582.37879378561-0.335250878461-0.3790091912540.803408792537-0.184946970074-0.323147190948-0.198263403813-0.7680269711280.5297754955910.6393660935760.346578054434-0.00675471213749-0.1101028724370.2871717949680.03822841148290.455930066656-25.16346704749.98303982105-76.7928745674
847.0915314115-0.886184245673-2.264402662326.072554254941.31022147797.07030141005-0.2019415154490.0214898351182-0.055376020159-0.05043966741560.00741894537896-0.01447402741380.1301658811570.1758114002790.1785755978590.1635755051350.001682222215960.001451119072060.1495541186560.01659072438620.18321310098-17.3450581991-3.00814124057-72.3559438774
851.53920829531-2.437427061890.3551148489797.584663041510.9290445551917.56096799580.6278530866460.485199467862-0.0936178164568-0.515594187937-0.255651163422-0.8379838638130.2266805669960.128869835388-0.2936803932120.243055599490.003737853417970.02051544732670.256938250796-0.06699657222780.325743066536-14.2560139229-12.8018701921-71.4145424113
866.754352137551.24073957926-0.9888660012978.61503114365-3.792144089078.359248153190.10185517136-0.07780091003630.753137387268-0.1923988604510.01085330906390.86423438471-0.0303380653136-0.0577348771333-0.08752888416920.1506694111380.0203039415755-0.03674126988160.188697231314-0.03256393494320.354285984145-28.9345631653-3.04078368005-72.7876881927
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 'A' and (resid 30 through 46 )AA30 - 461 - 17
22chain 'A' and (resid 47 through 90 )AA47 - 9018 - 61
33chain 'A' and (resid 91 through 100 )AA91 - 10062 - 71
44chain 'A' and (resid 101 through 112 )AA101 - 11272 - 83
55chain 'A' and (resid 113 through 134 )AA113 - 13484 - 105
66chain 'A' and (resid 135 through 162 )AA135 - 162106 - 120
77chain 'A' and (resid 163 through 198 )AA163 - 198121 - 156
88chain 'B' and (resid 1 through 23 )BB1 - 231 - 23
99chain 'B' and (resid 24 through 35 )BB24 - 3524 - 35
1010chain 'B' and (resid 36 through 45 )BB36 - 4536 - 45
1111chain 'B' and (resid 46 through 55 )BB46 - 5546 - 55
1212chain 'B' and (resid 56 through 68 )BB56 - 6856 - 68
1313chain 'B' and (resid 69 through 79 )BB69 - 7969 - 79
1414chain 'B' and (resid 80 through 84 )BB80 - 8480 - 84
1515chain 'B' and (resid 85 through 94 )BB85 - 9485 - 94
1616chain 'B' and (resid 95 through 99 )BB95 - 9995 - 99
1717chain 'B' and (resid 100 through 104 )BB100 - 104100 - 104
1818chain 'C' and (resid 16 through 22 )CC16 - 221 - 7
1919chain 'C' and (resid 23 through 44 )CC23 - 448 - 29
2020chain 'C' and (resid 45 through 66 )CC45 - 6630 - 39
2121chain 'C' and (resid 67 through 83 )CC67 - 8340 - 56
2222chain 'C' and (resid 84 through 96 )CC84 - 9657 - 69
2323chain 'C' and (resid 97 through 112 )CC97 - 11270 - 85
2424chain 'D' and (resid 30 through 46 )DD30 - 461 - 17
2525chain 'D' and (resid 47 through 90 )DD47 - 9018 - 61
2626chain 'D' and (resid 91 through 134 )DD91 - 13462 - 104
2727chain 'D' and (resid 135 through 198 )DD135 - 198105 - 156
2828chain 'E' and (resid 1 through 9 )EE1 - 91 - 9
2929chain 'E' and (resid 10 through 23 )EE10 - 2310 - 23
3030chain 'E' and (resid 24 through 35 )EE24 - 3524 - 35
3131chain 'E' and (resid 36 through 45 )EE36 - 4536 - 45
3232chain 'E' and (resid 46 through 55 )EE46 - 5546 - 55
3333chain 'E' and (resid 56 through 65 )EE56 - 6556 - 65
3434chain 'E' and (resid 66 through 72 )EE66 - 7266 - 72
3535chain 'E' and (resid 73 through 84 )EE73 - 8473 - 84
3636chain 'E' and (resid 85 through 94 )EE85 - 9485 - 94
3737chain 'E' and (resid 95 through 99 )EE95 - 9995 - 99
3838chain 'E' and (resid 100 through 104 )EE100 - 104100 - 104
3939chain 'F' and (resid 17 through 44 )FF17 - 441 - 28
4040chain 'F' and (resid 45 through 66 )FF45 - 6629 - 38
4141chain 'F' and (resid 67 through 82 )FF67 - 8239 - 54
4242chain 'F' and (resid 83 through 96 )FF83 - 9655 - 68
4343chain 'F' and (resid 97 through 112 )FF97 - 11269 - 84
4444chain 'G' and (resid 30 through 45 )GG30 - 451 - 16
4545chain 'G' and (resid 46 through 100 )GG46 - 10017 - 71
4646chain 'G' and (resid 101 through 112 )GG101 - 11272 - 83
4747chain 'G' and (resid 113 through 134 )GG113 - 13484 - 105
4848chain 'G' and (resid 135 through 174 )GG135 - 174106 - 131
4949chain 'G' and (resid 175 through 198 )GG175 - 198132 - 155
5050chain 'H' and (resid 1 through 23 )HH1 - 231 - 23
5151chain 'H' and (resid 24 through 35 )HH24 - 3524 - 35
5252chain 'H' and (resid 36 through 41 )HH36 - 4136 - 41
5353chain 'H' and (resid 42 through 50 )HH42 - 5042 - 50
5454chain 'H' and (resid 51 through 60 )HH51 - 6051 - 60
5555chain 'H' and (resid 61 through 68 )HH61 - 6861 - 68
5656chain 'H' and (resid 69 through 78 )HH69 - 7869 - 78
5757chain 'H' and (resid 79 through 86 )HH79 - 8679 - 83
5858chain 'H' and (resid 87 through 96 )HH87 - 9684 - 93
5959chain 'H' and (resid 97 through 104 )HH97 - 10494 - 101
6060chain 'I' and (resid 17 through 38 )II17 - 381 - 22
6161chain 'I' and (resid 39 through 66 )II39 - 6623 - 39
6262chain 'I' and (resid 67 through 82 )II67 - 8240 - 55
6363chain 'I' and (resid 83 through 96 )II83 - 9656 - 69
6464chain 'I' and (resid 97 through 112 )II97 - 11270 - 85
6565chain 'J' and (resid 30 through 46 )JJ30 - 461 - 17
6666chain 'J' and (resid 47 through 90 )JJ47 - 9018 - 61
6767chain 'J' and (resid 91 through 133 )JJ91 - 13362 - 104
6868chain 'J' and (resid 134 through 162 )JJ134 - 162105 - 119
6969chain 'J' and (resid 163 through 184 )JJ163 - 184120 - 141
7070chain 'J' and (resid 185 through 198 )JJ185 - 198142 - 155
7171chain 'K' and (resid 1 through 9 )KK1 - 91 - 9
7272chain 'K' and (resid 10 through 23 )KK10 - 2310 - 23
7373chain 'K' and (resid 24 through 35 )KK24 - 3524 - 35
7474chain 'K' and (resid 36 through 45 )KK36 - 4536 - 45
7575chain 'K' and (resid 46 through 55 )KK46 - 5546 - 55
7676chain 'K' and (resid 56 through 65 )KK56 - 6556 - 65
7777chain 'K' and (resid 66 through 79 )KK66 - 7966 - 79
7878chain 'K' and (resid 80 through 84 )KK80 - 8480 - 84
7979chain 'K' and (resid 85 through 94 )KK85 - 9485 - 94
8080chain 'K' and (resid 95 through 104 )KK95 - 10495 - 104
8181chain 'L' and (resid 16 through 27 )LL16 - 271 - 12
8282chain 'L' and (resid 28 through 45 )LL28 - 4513 - 30
8383chain 'L' and (resid 46 through 66 )LL46 - 6631 - 40
8484chain 'L' and (resid 67 through 83 )LL67 - 8341 - 57
8585chain 'L' and (resid 84 through 96 )LL84 - 9658 - 70
8686chain 'L' and (resid 97 through 112 )LL97 - 11271 - 86

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万見について

-
お知らせ

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

EMDBエントリの付随情報ファイルのフォーマットが新しくなりました

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

関連情報:EMDBヘッダ

外部リンク:wwPDBはEMDBデータモデルのバージョン3へ移行します

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2020年8月12日: 新型コロナ情報

新型コロナ情報

URL: https://pdbjlvh1.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