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- PDB-9bju: Crystal structure of the complex between VHL, ElonginB, ElonginC,... -

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基本情報

登録情報
データベース: PDB / ID: 9bju
タイトルCrystal structure of the complex between VHL, ElonginB, ElonginC, and compound 5
要素
  • (von Hippel-Lindau disease tumor ...) x 2
  • 3-PYRIDIN-4-YL-2,4-DIHYDRO-INDENO[1,2-.C.]PYRAZOLE
  • Elongin-B
  • Elongin-C
キーワードTRANSCRIPTION / VHL / degradation / degrader
機能・相同性
機能・相同性情報


regulation of cellular response to hypoxia / RHOBTB3 ATPase cycle / negative regulation of receptor signaling pathway via JAK-STAT / target-directed miRNA degradation / transcription elongation factor activity / elongin complex / Replication of the SARS-CoV-1 genome / VCB complex / Cul5-RING ubiquitin ligase complex / Cul2-RING ubiquitin ligase complex ...regulation of cellular response to hypoxia / RHOBTB3 ATPase cycle / negative regulation of receptor signaling pathway via JAK-STAT / target-directed miRNA degradation / transcription elongation factor activity / elongin complex / Replication of the SARS-CoV-1 genome / VCB complex / Cul5-RING ubiquitin ligase complex / Cul2-RING ubiquitin ligase complex / intracellular membraneless organelle / SUMOylation of ubiquitinylation proteins / Pausing and recovery of Tat-mediated HIV elongation / Tat-mediated HIV elongation arrest and recovery / negative regulation of transcription elongation by RNA polymerase II / HIV elongation arrest and recovery / Pausing and recovery of HIV elongation / Tat-mediated elongation of the HIV-1 transcript / negative regulation of signal transduction / Formation of HIV-1 elongation complex containing HIV-1 Tat / ubiquitin-like ligase-substrate adaptor activity / Formation of HIV elongation complex in the absence of HIV Tat / RNA Polymerase II Transcription Elongation / Formation of RNA Pol II elongation complex / negative regulation of TORC1 signaling / RNA Polymerase II Pre-transcription Events / negative regulation of autophagy / protein serine/threonine kinase binding / transcription corepressor binding / Vif-mediated degradation of APOBEC3G / positive regulation of cell differentiation / TP53 Regulates Transcription of DNA Repair Genes / Inactivation of CSF3 (G-CSF) signaling / transcription initiation at RNA polymerase II promoter / transcription elongation by RNA polymerase II / Evasion by RSV of host interferon responses / Oxygen-dependent proline hydroxylation of Hypoxia-inducible Factor Alpha / Regulation of expression of SLITs and ROBOs / cell morphogenesis / ubiquitin-protein transferase activity / Antigen processing: Ubiquitination & Proteasome degradation / transcription corepressor activity / positive regulation of proteasomal ubiquitin-dependent protein catabolic process / Neddylation / regulation of gene expression / microtubule cytoskeleton / Replication of the SARS-CoV-2 genome / protein-containing complex assembly / ubiquitin-dependent protein catabolic process / protein-macromolecule adaptor activity / cellular response to hypoxia / molecular adaptor activity / DNA-binding transcription factor binding / amyloid fibril formation / proteasome-mediated ubiquitin-dependent protein catabolic process / protein ubiquitination / protein stabilization / cilium / negative regulation of cell population proliferation / negative regulation of gene expression / ubiquitin protein ligase binding / regulation of transcription by RNA polymerase II / negative regulation of apoptotic process / regulation of DNA-templated transcription / positive regulation of DNA-templated transcription / enzyme binding / endoplasmic reticulum / negative regulation of transcription by RNA polymerase II / mitochondrion / proteolysis / nucleoplasm / nucleus / plasma membrane / cytosol
類似検索 - 分子機能
von Hippel-Lindau disease tumour suppressor, beta/alpha domain / von Hippel-Lindau disease tumour suppressor, alpha domain / von Hippel-Lindau disease tumour suppressor, beta domain / VHL superfamily / von Hippel-Lindau disease tumour suppressor, alpha domain superfamily / von Hippel-Lindau disease tumour suppressor, beta domain superfamily / VHL beta domain / VHL box domain / Elongin-C / Elongin B ...von Hippel-Lindau disease tumour suppressor, beta/alpha domain / von Hippel-Lindau disease tumour suppressor, alpha domain / von Hippel-Lindau disease tumour suppressor, beta domain / VHL superfamily / von Hippel-Lindau disease tumour suppressor, alpha domain superfamily / von Hippel-Lindau disease tumour suppressor, beta domain superfamily / VHL beta domain / VHL box domain / Elongin-C / Elongin B / 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 / 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
ACETATE ION / DI(HYDROXYETHYL)ETHER / trifluoroacetic acid / von Hippel-Lindau disease tumor suppressor / Elongin-C / Elongin-B
類似検索 - 構成要素
生物種Homo sapiens (ヒト)
synthetic construct (人工物)
手法X線回折 / シンクロトロン / 分子置換 / 解像度: 2.47 Å
データ登録者Murray, J.M. / Wu, H. / Fuhrmann, J. / Fairbrother, W.J. / DiPasquale, A.
資金援助1件
組織認可番号
Not funded
引用ジャーナル: J.Med.Chem. / : 2024
タイトル: Potency-Enhanced Peptidomimetic VHL Ligands with Improved Oral Bioavailability.
著者: Wu, H. / Murray, J. / Ishisoko, N. / Frommlet, A. / Deshmukh, G. / DiPasquale, A. / Mulvihill, M.M. / Zhang, D. / Quinn, J.G. / Blake, R.A. / Fairbrother, W.J. / Fuhrmann, J.
履歴
登録2024年4月25日登録サイト: RCSB / 処理サイト: RCSB
改定 1.02024年5月29日Provider: repository / タイプ: Initial release
改定 1.12024年10月16日Group: Database references / Structure summary
カテゴリ: citation / citation_author ...citation / citation_author / pdbx_entry_details / pdbx_modification_feature
Item: _citation.country / _citation.journal_abbrev ..._citation.country / _citation.journal_abbrev / _citation.journal_id_ASTM / _citation.journal_id_CSD / _citation.journal_id_ISSN / _citation.journal_volume / _citation.page_first / _citation.page_last / _citation.pdbx_database_id_DOI / _citation.pdbx_database_id_PubMed / _citation.title / _citation.year / _pdbx_entry_details.has_protein_modification

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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: Elongin-B
B: Elongin-C
C: von Hippel-Lindau disease tumor suppressor
D: Elongin-B
E: Elongin-C
F: von Hippel-Lindau disease tumor suppressor
G: Elongin-B
H: Elongin-C
I: von Hippel-Lindau disease tumor suppressor
J: Elongin-B
K: Elongin-C
L: von Hippel-Lindau disease tumor suppressor
W: 3-PYRIDIN-4-YL-2,4-DIHYDRO-INDENO[1,2-.C.]PYRAZOLE
X: 3-PYRIDIN-4-YL-2,4-DIHYDRO-INDENO[1,2-.C.]PYRAZOLE
Y: 3-PYRIDIN-4-YL-2,4-DIHYDRO-INDENO[1,2-.C.]PYRAZOLE
Z: 3-PYRIDIN-4-YL-2,4-DIHYDRO-INDENO[1,2-.C.]PYRAZOLE
ヘテロ分子


分子量 (理論値)分子数
合計 (水以外)175,29327
ポリマ-174,42316
非ポリマー87011
2,306128
1
A: Elongin-B
B: Elongin-C
C: von Hippel-Lindau disease tumor suppressor
Z: 3-PYRIDIN-4-YL-2,4-DIHYDRO-INDENO[1,2-.C.]PYRAZOLE
ヘテロ分子


分子量 (理論値)分子数
合計 (水以外)43,9558
ポリマ-43,6144
非ポリマー3414
724
タイプ名称対称操作
identity operation1_555x,y,z1
手法PISA
2
D: Elongin-B
E: Elongin-C
F: von Hippel-Lindau disease tumor suppressor
Y: 3-PYRIDIN-4-YL-2,4-DIHYDRO-INDENO[1,2-.C.]PYRAZOLE
ヘテロ分子


分子量 (理論値)分子数
合計 (水以外)43,6575
ポリマ-43,5984
非ポリマー591
724
タイプ名称対称操作
identity operation1_555x,y,z1
手法PISA
3
G: Elongin-B
H: Elongin-C
I: von Hippel-Lindau disease tumor suppressor
X: 3-PYRIDIN-4-YL-2,4-DIHYDRO-INDENO[1,2-.C.]PYRAZOLE
ヘテロ分子


分子量 (理論値)分子数
合計 (水以外)43,8137
ポリマ-43,5984
非ポリマー2153
724
タイプ名称対称操作
identity operation1_555x,y,z1
手法PISA
4
J: Elongin-B
K: Elongin-C
L: von Hippel-Lindau disease tumor suppressor
W: 3-PYRIDIN-4-YL-2,4-DIHYDRO-INDENO[1,2-.C.]PYRAZOLE
ヘテロ分子


分子量 (理論値)分子数
合計 (水以外)43,8687
ポリマ-43,6144
非ポリマー2543
543
タイプ名称対称操作
identity operation1_555x,y,z1
手法PISA
単位格子
Length a, b, c (Å)93.297, 93.297, 362.757
Angle α, β, γ (deg.)90.00, 90.00, 90.00
Int Tables number91
Space group name H-MP4122
Components on special symmetry positions
IDモデル要素
11F-404-

HOH

非結晶学的対称性 (NCS)NCSドメイン:
IDEns-ID
11
22
33
44
55
66
77
88
99
1010
1111
1212
1313
1414
1515
1616
1717
1818

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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タンパク質 , 2種, 8分子 ADGJBEHK

#1: 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: 11748.406 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 (大腸菌) / 参照: UniProt: Q15370
#2: 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: 10843.420 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 (大腸菌) / 参照: UniProt: Q15369

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Von Hippel-Lindau disease tumor ... , 2種, 4分子 CLFI

#3: タンパク質 von Hippel-Lindau disease tumor suppressor / Protein G7 / pVHL


分子量: 20530.275 Da / 分子数: 2 / 由来タイプ: 組換発現 / 由来: (組換発現) Homo sapiens (ヒト) / 遺伝子: VHL / 発現宿主: Escherichia coli (大腸菌) / 参照: UniProt: P40337
#4: タンパク質 von Hippel-Lindau disease tumor suppressor / Protein G7 / pVHL


分子量: 20514.275 Da / 分子数: 2 / 由来タイプ: 組換発現 / 由来: (組換発現) Homo sapiens (ヒト) / 遺伝子: VHL / 発現宿主: Escherichia coli (大腸菌) / 参照: UniProt: P40337

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タンパク質・ペプチド , 1種, 4分子 WXYZ

#5: タンパク質・ペプチド
3-PYRIDIN-4-YL-2,4-DIHYDRO-INDENO[1,2-.C.]PYRAZOLE


分子量: 491.603 Da / 分子数: 4 / 由来タイプ: 合成 / 由来: (合成) synthetic construct (人工物)

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非ポリマー , 6種, 139分子

#6: 化合物 ChemComp-TFA / trifluoroacetic acid / トリフルオロ酢酸


分子量: 114.023 Da / 分子数: 2 / 由来タイプ: 合成 / : C2HF3O2
#7: 化合物 ChemComp-PEG / DI(HYDROXYETHYL)ETHER / ジエチレングリコ-ル


分子量: 106.120 Da / 分子数: 1 / 由来タイプ: 合成 / : C4H10O3
#8: 化合物 ChemComp-EDO / 1,2-ETHANEDIOL / ETHYLENE GLYCOL / エチレングリコ-ル


分子量: 62.068 Da / 分子数: 2 / 由来タイプ: 合成 / : C2H6O2
#9: 化合物 ChemComp-ACT / ACETATE ION / 酢酸イオン


分子量: 59.044 Da / 分子数: 3 / 由来タイプ: 合成 / : C2H3O2
#10: 化合物 ChemComp-DMS / DIMETHYL SULFOXIDE / 2-チアプロパン2-オキシド


分子量: 78.133 Da / 分子数: 3 / 由来タイプ: 合成 / : C2H6OS / コメント: DMSO, 沈殿剤*YM
#11: 水 ChemComp-HOH / water


分子量: 18.015 Da / 分子数: 128 / 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
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: 2.29 Å3/Da / 溶媒含有率: 46.26 %
結晶化温度: 277 K / 手法: 蒸気拡散法, ハンギングドロップ法
詳細: 0.1 mM sodium cacodylate pH 5.7, 15% PEG8000, 0.2 M magnesium acetate, 5 mM DTT

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データ収集

回折平均測定温度: 93 K / Serial crystal experiment: N
放射光源由来: シンクロトロン / サイト: SSRF / ビームライン: BL19U1 / 波長: 0.97893 Å
検出器タイプ: DECTRIS PILATUS3 6M / 検出器: PIXEL / 日付: 2018年5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: 0.97893 Å / 相対比: 1
反射解像度: 2.47→50 Å / Num. obs: 58657 / % possible obs: 99.9 % / 冗長度: 13.1 % / Rmerge(I) obs: 0.136 / Rpim(I) all: 0.04 / Rrim(I) all: 0.142 / Χ2: 1.017 / Net I/σ(I): 4.5
反射 シェル

Diffraction-ID: 1

解像度 (Å)冗長度 (%)Rmerge(I) obsNum. unique obsCC1/2CC starRpim(I) allRrim(I) allΧ2% possible all
2.47-2.5612.51.22857250.8390.9550.3581.2810.931100
2.56-2.6613.80.96257610.9240.980.2660.9990.944100
2.66-2.7813.70.7157450.9440.9850.1970.7370.998100
2.78-2.9313.60.45557960.9790.9950.1270.4731.079100
2.93-3.1113.20.30758040.9860.9970.0870.3191.068100
3.11-3.3512.50.21257890.9860.9960.0620.2211.052100
3.35-3.6913.80.1658460.9920.9980.0450.1661.057100
3.69-4.2213.40.1259060.9910.9980.0350.1251.039100
4.22-5.3212.50.10259570.9950.9990.030.1070.976100
5.32-5012.30.07463280.9890.9970.0230.0781.01699.6

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解析

ソフトウェア
名称バージョン分類
REFMAC5.8.0222精密化
HKL-2000データスケーリング
HKL-2000データ削減
PHASER位相決定
精密化構造決定の手法: 分子置換 / 解像度: 2.47→48.86 Å / Cor.coef. Fo:Fc: 0.955 / Cor.coef. Fo:Fc free: 0.927 / SU B: 25.014 / SU ML: 0.264 / 交差検証法: THROUGHOUT / ESU R: 0.556 / ESU R Free: 0.289 / 立体化学のターゲット値: MAXIMUM LIKELIHOOD / 詳細: HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS
Rfactor反射数%反射Selection details
Rfree0.25565 2942 5 %RANDOM
Rwork0.2184 ---
obs0.2203 55496 99.64 %-
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 / 溶媒モデル: MASK
原子変位パラメータBiso mean: 66.929 Å2
Baniso -1Baniso -2Baniso -3
1-1.7 Å20 Å20 Å2
2--1.7 Å2-0 Å2
3----3.39 Å2
精密化ステップサイクル: 1 / 解像度: 2.47→48.86 Å
タンパク質核酸リガンド溶媒全体
原子数10799 0 201 128 11128
拘束条件
Refine-IDタイプDev idealDev ideal target
X-RAY DIFFRACTIONr_bond_refined_d0.010.01411262
X-RAY DIFFRACTIONr_bond_other_d0.0010.01710180
X-RAY DIFFRACTIONr_angle_refined_deg1.3741.6915286
X-RAY DIFFRACTIONr_angle_other_deg0.8561.64823920
X-RAY DIFFRACTIONr_dihedral_angle_1_deg7.20951328
X-RAY DIFFRACTIONr_dihedral_angle_2_deg32.50321.158622
X-RAY DIFFRACTIONr_dihedral_angle_3_deg16.506151915
X-RAY DIFFRACTIONr_dihedral_angle_4_deg20.00715100
X-RAY DIFFRACTIONr_chiral_restr0.0640.21466
X-RAY DIFFRACTIONr_gen_planes_refined0.0060.0212442
X-RAY DIFFRACTIONr_gen_planes_other0.0010.021994
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_it1.5663.0985360
X-RAY DIFFRACTIONr_mcbond_other1.5563.0945356
X-RAY DIFFRACTIONr_mcangle_it2.5854.6316670
X-RAY DIFFRACTIONr_mcangle_other2.5854.6316671
X-RAY DIFFRACTIONr_scbond_it1.7213.3345901
X-RAY DIFFRACTIONr_scbond_other1.7213.3355902
X-RAY DIFFRACTIONr_scangle_it
X-RAY DIFFRACTIONr_scangle_other2.6284.9338617
X-RAY DIFFRACTIONr_long_range_B_refined5.24535.811640
X-RAY DIFFRACTIONr_long_range_B_other5.24535.80111641
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)
11A30810.07
12D30810.07
21A30620.07
22G30620.07
31A31330.07
32J31330.07
41B26380.07
42E26380.07
51B25890.1
52H25890.1
61B26380.08
62K26380.08
71C45090.07
72F45090.07
81C45120.08
82I45120.08
91C45330.07
92L45330.07
101D31160.07
102G31160.07
111D30580.07
112J30580.07
121E25770.1
122H25770.1
131E26310.08
132K26310.08
141F45070.08
142I45070.08
151F45140.08
152L45140.08
161G30590.07
162J30590.07
171H26120.09
172K26120.09
181I46030.09
182L46030.09
LS精密化 シェル解像度: 2.473→2.537 Å / Total num. of bins used: 20
Rfactor反射数%反射
Rfree0.353 227 -
Rwork0.32 3987 -
obs--98.85 %
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)
16.99930.24041.74210.36821.50457.76820.2545-0.28850.2424-0.1909-0.1384-0.1854-0.4578-0.0181-0.11610.21480.14240.21420.29120.21240.3929-19.32785.694338.6945
22.8168-1.6412-0.42454.07182.30345.5347-0.0078-0.3448-0.3513-0.1151-0.27430.37950.2547-0.39840.28210.1922-0.00780.09960.17580.01610.2087-24.68452.13141.7004
38.26240.19372.63560.86631.910313.15140.0323-0.3889-1.20970.89110.135-0.11011.4422-0.7619-0.16721.00560.1532-0.01490.38890.07760.4316-25.7142-3.069949.2969
44.40632.2264.24459.99640.72636.08460.2932-0.510.15480.5156-0.0682-0.78330.0930.373-0.2250.2353-0.00870.13130.5876-0.19380.3738-20.25039.786250.2902
53.8141-1.4147-2.34195.74522.5115.39190.3187-0.43130.17230.1305-0.1523-0.3334-0.73840.5151-0.16640.2127-0.03430.03990.21620.01690.1716-16.39397.974340.0979
66.9748-3.3253-3.280215.522-2.59382.78390.15520.0840.1109-0.4701-0.1089-0.01990.046-0.0333-0.04640.49530.0140.00040.5720.01240.5441-24.1646-9.997357.4295
71.0265-2.91350.155110.75842.78944.242-0.1019-0.1007-0.10460.41710.1590.18740.1536-0.153-0.05710.40410.06950.00950.43740.05580.3819-16.4633-4.791453.1074
80.4344-1.1238-0.88166.11145.64755.3341-0.13240.087-0.45210.07480.04730.3578-0.02410.17480.0850.3094-0.07510.13320.65110.01310.7421-8.0032-4.686941.102
92.24035.5564-3.463514.247-8.08296.05370.2352-0.1476-0.23090.5789-0.1957-0.7737-0.11380.3343-0.03950.31460.0118-0.05920.57430.04390.6954.7909-2.989731.067
1011.1411-0.40399.32011.5632-5.486225.140.1105-0.13330.14820.05090.08030.0368-0.0743-0.0519-0.19080.3526-0.01270.03490.4907-0.08520.555310.55040.747924.1766
115.4123-1.3671.50586.62221.19168.8813-0.03820.0248-0.8676-0.18290.01780.52650.4936-0.64780.02030.2799-0.00770.11780.1446-0.01690.3443-19.1558-7.837827.5104
122.30311.307-0.78044.75972.41444.93650.07150.0270.0151-0.18040.1051-0.0382-0.5140.1789-0.17660.28880.00530.12560.0803-0.00530.2155-10.66363.85624.5915
136.5336-3.57464.75762.9087-3.01197.96520.10620.3290.0173-0.2080.12120.4333-0.1591-0.3081-0.22740.705-0.11090.14890.1950.04610.4218-11.849927.66985.2481
142.519-0.96990.87984.7749-2.34624.39150.0580.14620.1197-0.18970.0208-0.0433-0.35450.139-0.07880.6-0.05130.19510.1057-0.02320.2929-7.218625.43487.043
157.8232-2.9494-0.73312.08052.77364.69560.42470.30040.1663-0.9391-0.30920.5719-0.0482-0.2291-0.11550.50110.00130.05740.28910.01270.4238-18.206426.03296.3728
160.99493.4371-0.048112.09680.37222.3630.01950.05620.4207-0.15390.06591.2905-0.5369-0.5393-0.08530.71490.15110.13980.2291-0.03140.4614-14.399622.527515.3486
1710.76272.9511-2.66236.5745-2.32192.98060.08760.05470.459-0.22080.223-0.3377-0.19050.3929-0.31050.3762-0.03670.15770.1247-0.08560.2291-2.67615.102618.1547
182.46091.54940.72647.0933-0.84980.55840.35290.3018-0.07520.4144-0.3121-0.27120.04350.3492-0.04080.4087-0.01010.06340.4689-0.04430.44258.0306-0.586515.1336
194.78265.0294-1.6717.39592.830311.00180.24840.0085-0.47720.33010.0692-0.79270.16780.5506-0.31770.37770.03820.12940.4443-0.04010.47080.61120.28679.6685
208.62643.7333.99193.06550.49263.3684-0.01730.0324-0.2348-0.11510.01530.01720.2404-0.37490.0020.5630.0117-0.01380.4685-0.03140.5397-10.873811.9025-0.3295
213.79940.319-0.36260.03730.18336.0735-0.03750.03660.13090.0304-0.0019-0.00490.2338-0.23720.03940.3867-0.05760.01580.3548-0.00920.302927.59822.315138.8883
222.7197-3.1124-1.22148.85533.50558.4353-0.0515-0.4108-0.30110.2676-0.07980.57291.0241-0.79170.13130.4619-0.17060.04560.3748-0.04020.339325.48-0.133139.493
233.95686.9685-0.045812.60410.67698.86260.1408-0.05350.06120.3690.03420.49231.0774-0.9655-0.17510.6259-0.32880.20990.81510.06140.735518.5223-1.770744.3102
241.0216-1.092-1.26422.0326-0.51296.351-0.60160.0518-0.6211.00230.68951.06181.1873-1.2322-0.08791.4984-0.28220.38150.88150.25120.644820.7223-6.073749.5592
250.22460.42371.36883.65851.70638.96410.1458-0.13480.01931.1277-0.278-0.03190.8999-0.38450.13220.5714-0.01410.15430.6699-0.08690.419326.80116.52750.4682
269.668-1.0587-1.87911.9314.05248.56650.079-0.57580.27880.1366-0.079-0.02840.318-0.065800.4171-0.0510.0180.336-0.00570.222630.51654.375340.234
272.57455.09494.419216.29784.256410.83990.08470.19260.0090.024-0.02860.14950.18990.6721-0.0560.63430.02890.11050.50770.06480.623421.8438-12.839157.7956
280.4170.6394-0.97941.4664-3.27619.0553-0.0063-0.2749-0.37320.15-0.4161-0.3825-0.76330.34760.42240.740.1187-0.02760.4761-0.00390.623234.2302-8.478547.2219
299.11893.8988-0.56883.0473-0.29650.0394-0.082-0.0487-0.2499-0.07670.0458-0.39730.02150.02770.03630.51270.0502-0.04060.5691-0.02930.56453.4035-5.926127.8314
306.00282.32130.1392.33473.1136.558-0.14820.0403-0.32130.1996-0.18240.08850.4671-0.38460.33060.5371-0.11220.06890.36670.0120.516323.5218-10.152931.4013
3126.3877-1.0196-12.69724.68269.708124.56070.07730.0601-0.5350.6094-0.349-0.00631.227-0.94230.27170.6406-0.0022-0.0550.395-0.03320.460736.3175-14.690134.4981
325.0703-0.9471-5.04693.8495.265710.15720.28970.42360.12330.2163-0.4410.24630.1776-0.90730.15130.5635-0.22700.3532-0.05930.431124.3497-6.027228.5577
3318.64180.322-20.43750.01-0.358722.42140.47011.220.35820.06190.02870.0428-0.5516-1.3506-0.49880.83860.06510.19590.58530.12670.730326.6006-11.269719.484
346.42680.5165-9.07313.11241.054113.06720.13670.08590.3784-0.07590.36710.5086-0.1601-0.1462-0.50380.5012-0.0604-0.04860.5406-0.01320.621620.341-15.315324.952
3512.7388-7.72.158710.07015.22168.25590.01670.3578-1.41630.4930.11420.87940.66520.3407-0.13090.8906-0.0832-0.03420.4384-0.09190.498633.5592-16.016627.2429
363.08850.69350.007610.3779-0.48738.68750.044-0.0483-0.12910.2438-0.0598-0.18290.7915-0.49080.01580.3841-0.05530.02670.1438-0.02150.207332.6009-0.614827.3088
371.5032.58450.78855.8913-2.35310.24930.0213-0.12770.33310.1495-0.12430.546-0.5244-0.56850.10310.557-0.00670.12790.4116-0.06020.329233.94319.386623.7915
386.98653.31991.6623.36992.95393.24980.194-0.1853-0.07050.3888-0.0392-0.2850.5370.1437-0.15480.4440.031-0.00130.25850.0110.362441.3141-6.419522.3684
396.7193-1.4125-2.41580.32070.42511.32990.3690.7796-0.1707-0.0378-0.26840.065-0.4744-0.0755-0.10060.88240.04910.00110.69580.00720.559431.800323.4377-5.5491
402.7268-2.03770.84834.9421-1.97254.94390.21520.13650.2758-0.349-0.0774-0.0428-1.1822-0.206-0.13780.8662-0.02770.13010.1809-0.04580.379838.703723.33197.9413
4111.3002-6.26513.76668.5293-3.06973.5110.32590.3050.1326-0.5771-0.16840.3147-0.2449-0.122-0.15750.63690.00840.07250.1827-0.05460.379633.320917.93339.2783
420.72680.14040.62080.0878-0.30483.5011-0.2887-0.07370.7394-0.00540.10530.2069-0.5771-0.92730.18341.04060.09510.08180.260.04320.934530.538620.976114.6272
436.72191.4816-4.768411.27893.28968.11740.1953-0.2365-0.04750.18490.2785-0.6329-0.09530.709-0.47390.3172-0.04540.03760.1569-0.04460.324143.89391.048418.3108
4410.67831.485-1.59489.0881-2.34050.79620.70360.08450.01290.5787-0.9586-1.221-0.12510.41940.2550.5680.1006-0.04640.9488-0.13310.736654.6764-4.865815.3649
452.67691.1703-0.6347.61821.37312.53330.08630.0966-0.07520.1503-0.1441-0.49640.11970.36230.05770.41780.0450.00710.3405-0.0540.389547.0828-3.79659.7776
468.18692.01582.09278.49940.0261.9758-0.72480.4933-0.645-0.04370.71060.04020.1825-0.57870.01420.7637-0.02570.00960.5973-0.01280.676435.83437.7258-0.1305
473.59761.81570.08891.9777-2.96818.6511-0.2378-0.12650.52140.02680.20370.2511-0.2113-0.86630.03410.4626-0.02310.07630.30370.00790.246731.398947.665338.9966
482.7041-3.1249-0.17188.7456-0.42414.6401-0.2624-0.144-0.42390.24090.26041.24610.2668-0.81680.0020.4519-0.0940.08990.39820.06740.421126.599343.584542.3625
493.6352-2.5275-3.01177.4939-2.55956.3427-0.6620.0821-0.67670.88820.70051.19420.4239-0.7662-0.03850.8036-0.09320.15290.50410.08460.431826.670238.144249.9978
508.6151-3.40615.16354.0003-3.00919.4653-0.3637-0.1530.76530.82660.224-0.431-0.3778-0.75640.13960.66830.05380.03940.4091-0.07670.417131.024251.518750.7528
514.81411.7628-2.27050.7106-1.590410.47340.0013-0.27720.38780.0427-0.08120.1426-0.4266-0.31260.07990.42040.00630.08850.25780.00910.253834.183450.011640.1342
525.4322-0.09198.27969.37184.510914.9283-0.485-0.318-0.19620.86670.53540.5207-0.3162-0.2186-0.05040.48030.01460.06120.44610.02590.469829.979430.979357.6667
532.78213.4142-4.98474.4531-5.567310.5804-0.1819-0.2694-0.392-0.1173-0.6157-0.30430.0107-0.12250.79770.64710.02570.10930.4358-0.01320.385740.064837.675646.2597
545.51571.0531-3.31090.6344-0.34932.17750.5936-0.21140.01170.3125-0.1837-0.5663-0.25790.1105-0.40990.7930.04170.02310.59790.26150.873957.043142.399525.169
555.5224-0.59690.49735.9519-0.77376.50480.07910.3181-0.5235-0.60210.08461.01990.8664-1.1897-0.16370.8171-0.17250.01010.37440.00670.415429.93635.269427.8428
562.7254-0.33210.28245.4069-0.54882.26990.14170.1085-0.022-0.5873-0.11680.0390.4439-0.2189-0.02490.613-0.02810.06610.12640.0340.241136.98242.205626.6278
573.53974.37282.294311.27392.10257.9728-0.4060.42740.05010.10080.22561.2079-0.3824-0.72190.18040.5595-0.02430.15330.3753-0.03780.325135.395155.566823.6916
5811.23063.58554.68623.95613.31317.3096-0.08090.0997-0.1003-0.12260.0573-0.1240.32550.22440.02370.47780.02250.04540.22190.05880.337344.264940.784521.0415
594.4129-3.26562.29037.0442-3.00065.256-0.33030.24630.2234-0.07630.01090.1203-0.2891-0.41740.31930.3076-0.0840.06310.122-0.00270.342134.272770.75925.5671
602.9424-0.55920.51065.2646-1.9383.2497-0.12980.14320.0795-0.1718-0.03730.11280.2113-0.1210.16710.4543-0.01950.04640.1008-0.02020.241137.349468.77077.0901
612.36060.32820.60155.4737-1.40133.4758-0.03410.0225-0.2035-0.3504-0.1897-0.38180.360.40260.22380.5834-0.05470.08620.15930.02230.162943.591253.918814.8536
621.83761.69171.992711.3959-5.21927.31050.03560.1671-0.71090.03080.503-0.96730.3652-0.0527-0.53860.89260.12540.12230.2329-0.01650.506948.48944.1268.1375
638.05083.93664.24925.01010.69782.978-0.01970.08270.1565-0.1212-0.01050.39720.109-0.17260.03010.4857-0.02310.02730.5426-0.08990.481935.179154.8639-1.1484
645.425-1.0373.52530.4985-2.219110.43290.1242-0.25930.3132-0.19530.16660.03450.767-0.9052-0.29090.37-0.08150.04270.2296-0.01680.1841-16.111851.554738.6859
654.3999-1.2144-1.05611.07072.41846.571-0.1564-0.3462-0.59130.1593-0.24160.29590.5394-0.92460.3980.374-0.18820.06930.37910.00190.2863-21.094747.638141.8739
6612.76254.7079-0.85310.80711.12520.31360.0486-0.425-0.04231.0685-0.1530.75120.2954-0.02740.10440.8213-0.21580.16660.41940.1230.2861-21.432742.173449.4993
676.4766-2.43373.32627.7595-3.82575.6947-0.3051-0.20190.49570.77120.0906-0.4606-0.0851-0.01250.21450.2668-0.04170.06520.4262-0.1110.3277-16.533655.325350.402
683.63710.122-0.62442.35240.742211.00210.0604-0.17410.1720.0389-0.25250.0023-0.1470.25370.19210.1392-0.04420.10130.17260.00780.1681-13.200953.84439.8904
699.2394-0.80434.37115.4558-3.13393.4770.0099-0.7022-0.23960.10540.1030.0169-0.0582-0.3802-0.11280.6328-0.01640.04860.589-0.02850.4896-18.427535.099157.3006
700.0445-0.2111-0.29543.00930.7839.5695-0.1671-0.0365-0.04320.2639-0.4127-0.26651.6213-0.34510.57980.75110.08050.10960.42460.13390.2861-8.045241.226346.1922
714.67654.4682-6.38154.4198-5.99478.79420.5166-0.22550.1130.6664-0.2193-0.1769-0.51740.3427-0.29730.56810.052-0.0890.48080.07750.70867.38444.556329.3026
725.14054.55828.4964.04887.53314.0448-0.22560.4008-0.0332-0.2250.3083-0.0665-0.38520.6903-0.08270.47640.02650.1080.54050.00850.583612.614548.705221.8788
733.1613-0.62480.96159.55550.46742.9828-0.1921-0.44150.05140.2759-0.00660.31940.2382-0.42480.19870.4717-0.05730.02990.26170.01970.2853-19.390338.936531.3565
745.95263.0586-0.14674.14584.60158.69190.12320.3234-0.32040.3614-0.52770.16250.8777-1.27870.40450.8988-0.1279-0.12650.23180.01670.3889-16.790940.815126.5726
7512.30451.36643.37914.57821.10951.06270.01350.258-0.5821-0.11730.06410.14150.010.0375-0.07770.4895-0.0020.0170.32620.00110.3805-13.422134.257625.6767
763.1729-4.4997-0.121211.281-1.41834.1488-0.0547-0.21650.1514-0.37870.0764-0.0530.5627-0.1372-0.02170.3115-0.07370.08380.12020.03660.1959-11.761449.463426.7481
773.85764.58454.12318.18831.43028.8683-0.2325-0.11240.4708-0.3731-0.08790.7339-0.0697-0.2830.32040.3093-0.0570.09190.1983-0.0170.196-11.661259.549323.5281
7811.30883.89652.77814.6223.44746.0650.1394-0.0347-0.217-0.0767-0.1301-0.29220.55160.3525-0.00930.41680.04570.06460.14280.09370.265-3.087544.526521.049
795.5695-3.39332.17826.2571-1.78324.0322-0.06410.31550.2812-0.1437-0.00130.5902-0.4967-0.02250.06550.2693-0.05930.050.0619-0.01280.3339-12.240375.20676.0655
803.5071-1.3604-0.07532.7059-0.92243.6308-0.00860.06880.1335-0.2883-0.0567-0.0227-0.0562-0.07730.06530.2344-0.01780.09510.0083-0.02060.2056-7.355772.81517.0601
817.07470.36741.18120.0830.25856.4385-0.1234-0.05490.7303-0.0180.01130.2148-0.3205-0.95240.11210.4377-0.01820.03510.21460.06090.6364-18.662276.25419.4707
827.7341-1.474-0.87252.70130.77093.1275-0.0340.2055-0.2232-0.1136-0.064-0.5340.24610.56950.0980.39260.04170.09970.13790.06660.24771.1851.470115.4905
830.1272-0.97720.867713.2854-11.682210.27910.07090.0896-0.12210.0619-0.4878-0.5147-0.07170.46440.41690.65190.09270.07060.2198-0.14030.62041.527447.78538.3343
8418.36064.44498.37845.5883-0.38915.5806-0.13190.2668-0.1207-0.17530.24850.41310.0275-0.3853-0.11660.45430.02810.07570.3952-0.06930.3685-11.47558.9303-1.5682
精密化 TLSグループ
IDRefine-IDRefine TLS-IDAuth asym-IDAuth seq-ID
1X-RAY DIFFRACTION1A1 - 9
2X-RAY DIFFRACTION2A10 - 35
3X-RAY DIFFRACTION3A36 - 45
4X-RAY DIFFRACTION4A46 - 60
5X-RAY DIFFRACTION5A61 - 79
6X-RAY DIFFRACTION6A80 - 84
7X-RAY DIFFRACTION7A85 - 89
8X-RAY DIFFRACTION8A90 - 94
9X-RAY DIFFRACTION9A95 - 99
10X-RAY DIFFRACTION10A100 - 104
11X-RAY DIFFRACTION11B17 - 66
12X-RAY DIFFRACTION12B67 - 112
13X-RAY DIFFRACTION13C61 - 83
14X-RAY DIFFRACTION14C84 - 131
15X-RAY DIFFRACTION15C132 - 141
16X-RAY DIFFRACTION16C145 - 157
17X-RAY DIFFRACTION17C158 - 169
18X-RAY DIFFRACTION18C170 - 181
19X-RAY DIFFRACTION19C182 - 193
20X-RAY DIFFRACTION20C194 - 205
21X-RAY DIFFRACTION21D1 - 9
22X-RAY DIFFRACTION22D10 - 23
23X-RAY DIFFRACTION23D24 - 35
24X-RAY DIFFRACTION24D36 - 45
25X-RAY DIFFRACTION25D46 - 60
26X-RAY DIFFRACTION26D61 - 79
27X-RAY DIFFRACTION27D80 - 84
28X-RAY DIFFRACTION28D85 - 94
29X-RAY DIFFRACTION29D95 - 103
30X-RAY DIFFRACTION30E17 - 22
31X-RAY DIFFRACTION31E23 - 27
32X-RAY DIFFRACTION32E28 - 38
33X-RAY DIFFRACTION33E39 - 45
34X-RAY DIFFRACTION34E46 - 58
35X-RAY DIFFRACTION35E59 - 66
36X-RAY DIFFRACTION36E67 - 83
37X-RAY DIFFRACTION37E84 - 96
38X-RAY DIFFRACTION38E97 - 112
39X-RAY DIFFRACTION39F62 - 70
40X-RAY DIFFRACTION40F71 - 121
41X-RAY DIFFRACTION41F122 - 141
42X-RAY DIFFRACTION42F142 - 157
43X-RAY DIFFRACTION43F158 - 169
44X-RAY DIFFRACTION44F170 - 181
45X-RAY DIFFRACTION45F182 - 193
46X-RAY DIFFRACTION46F194 - 205
47X-RAY DIFFRACTION47G1 - 9
48X-RAY DIFFRACTION48G10 - 35
49X-RAY DIFFRACTION49G36 - 45
50X-RAY DIFFRACTION50G46 - 60
51X-RAY DIFFRACTION51G61 - 79
52X-RAY DIFFRACTION52G80 - 84
53X-RAY DIFFRACTION53G85 - 94
54X-RAY DIFFRACTION54G95 - 103
55X-RAY DIFFRACTION55H17 - 61
56X-RAY DIFFRACTION56H62 - 83
57X-RAY DIFFRACTION57H84 - 96
58X-RAY DIFFRACTION58H97 - 112
59X-RAY DIFFRACTION59I61 - 83
60X-RAY DIFFRACTION60I84 - 141
61X-RAY DIFFRACTION61I142 - 181
62X-RAY DIFFRACTION62I182 - 193
63X-RAY DIFFRACTION63I194 - 207
64X-RAY DIFFRACTION64J1 - 9
65X-RAY DIFFRACTION65J10 - 35
66X-RAY DIFFRACTION66J36 - 45
67X-RAY DIFFRACTION67J46 - 60
68X-RAY DIFFRACTION68J61 - 79
69X-RAY DIFFRACTION69J80 - 84
70X-RAY DIFFRACTION70J85 - 94
71X-RAY DIFFRACTION71J95 - 99
72X-RAY DIFFRACTION72J100 - 104
73X-RAY DIFFRACTION73K17 - 22
74X-RAY DIFFRACTION74K23 - 45
75X-RAY DIFFRACTION75K46 - 66
76X-RAY DIFFRACTION76K67 - 83
77X-RAY DIFFRACTION77K84 - 96
78X-RAY DIFFRACTION78K97 - 112
79X-RAY DIFFRACTION79L62 - 83
80X-RAY DIFFRACTION80L84 - 131
81X-RAY DIFFRACTION81L132 - 151
82X-RAY DIFFRACTION82L152 - 181
83X-RAY DIFFRACTION83L182 - 193
84X-RAY DIFFRACTION84L194 - 207

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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

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