[日本語] English
- PDB-8bu6: Structure of DDB1 bound to DS55-engaged CDK12-cyclin K -

+
データを開く


IDまたはキーワード:

読み込み中...

-
基本情報

登録情報
データベース: PDB / ID: 8bu6
タイトルStructure of DDB1 bound to DS55-engaged CDK12-cyclin K
要素
  • Cyclin-K
  • Cyclin-dependent kinase 12
  • DNA damage-binding protein 1
キーワードLIGASE / kinase / cyclin / ubiquitin / degrader
機能・相同性
機能・相同性情報


cyclin K-CDK12 complex / cyclin K-CDK13 complex / nuclear cyclin-dependent protein kinase holoenzyme complex / regulation of MAP kinase activity / cyclin/CDK positive transcription elongation factor complex / host-mediated suppression of viral genome replication / negative regulation of intracellular estrogen receptor signaling pathway / positive regulation by virus of viral protein levels in host cell / negative regulation of stem cell differentiation / spindle assembly involved in female meiosis ...cyclin K-CDK12 complex / cyclin K-CDK13 complex / nuclear cyclin-dependent protein kinase holoenzyme complex / regulation of MAP kinase activity / cyclin/CDK positive transcription elongation factor complex / host-mediated suppression of viral genome replication / negative regulation of intracellular estrogen receptor signaling pathway / positive regulation by virus of viral protein levels in host cell / negative regulation of stem cell differentiation / spindle assembly involved in female meiosis / regulation of cyclin-dependent protein serine/threonine kinase activity / epigenetic programming in the zygotic pronuclei / cyclin-dependent protein serine/threonine kinase activator activity / UV-damage excision repair / positive regulation of DNA-templated transcription, elongation / [RNA-polymerase]-subunit kinase / biological process involved in interaction with symbiont / regulation of mitotic cell cycle phase transition / WD40-repeat domain binding / Cul4A-RING E3 ubiquitin ligase complex / Cul4-RING E3 ubiquitin ligase complex / Cul4B-RING E3 ubiquitin ligase complex / ubiquitin ligase complex scaffold activity / negative regulation of reproductive process / negative regulation of developmental process / cullin family protein binding / viral release from host cell / RNA polymerase II transcribes snRNA genes / HIV elongation arrest and recovery / Pausing and recovery of HIV elongation / cellular response to estrogen stimulus / regulation of signal transduction / ectopic germ cell programmed cell death / cyclin-dependent kinase / cyclin-dependent protein serine/threonine kinase activity / positive regulation of viral genome replication / Formation of HIV elongation complex in the absence of HIV Tat / proteasomal protein catabolic process / negative regulation of MAPK cascade / RNA Polymerase II Transcription Elongation / Formation of RNA Pol II elongation complex / RNA Polymerase II Pre-transcription Events / positive regulation of gluconeogenesis / RNA polymerase II CTD heptapeptide repeat kinase activity / RNA splicing / cyclin binding / SMAD2/SMAD3:SMAD4 heterotrimer regulates transcription / Recognition of DNA damage by PCNA-containing replication complex / DNA Damage Recognition in GG-NER / nucleotide-excision repair / TP53 Regulates Transcription of DNA Repair Genes / Dual Incision in GG-NER / Transcription-Coupled Nucleotide Excision Repair (TC-NER) / positive regulation of transcription elongation by RNA polymerase II / Formation of TC-NER Pre-Incision Complex / Formation of Incision Complex in GG-NER / regulation of circadian rhythm / Dual incision in TC-NER / Gap-filling DNA repair synthesis and ligation in TC-NER / Wnt signaling pathway / mRNA processing / positive regulation of protein catabolic process / cellular response to UV / rhythmic process / site of double-strand break / Neddylation / ubiquitin-dependent protein catabolic process / protein-macromolecule adaptor activity / damaged DNA binding / proteasome-mediated ubiquitin-dependent protein catabolic process / transcription by RNA polymerase II / chromosome, telomeric region / protein ubiquitination / protein kinase activity / nuclear speck / cell division / protein serine kinase activity / DNA repair / apoptotic process / DNA damage response / protein kinase binding / negative regulation of apoptotic process / protein-containing complex binding / nucleolus / positive regulation of transcription by RNA polymerase II / protein-containing complex / extracellular space / DNA binding / extracellular exosome / nucleoplasm / ATP binding / nucleus / cytoplasm
類似検索 - 分子機能
Cyclin-T2-like, C-terminal domain / DNA polymerase; domain 1 - #910 / Cyclin/Cyclin-like subunit Ssn8 / Cyclin, C-terminal domain / Cyclin_C / RSE1/DDB1/CPSF1 second beta-propeller / Cleavage/polyadenylation specificity factor, A subunit, C-terminal / Cleavage/polyadenylation specificity factor, A subunit, N-terminal / : / CPSF A subunit region ...Cyclin-T2-like, C-terminal domain / DNA polymerase; domain 1 - #910 / Cyclin/Cyclin-like subunit Ssn8 / Cyclin, C-terminal domain / Cyclin_C / RSE1/DDB1/CPSF1 second beta-propeller / Cleavage/polyadenylation specificity factor, A subunit, C-terminal / Cleavage/polyadenylation specificity factor, A subunit, N-terminal / : / CPSF A subunit region / RSE1/DDB1/CPSF1 first beta-propeller / Cyclin, N-terminal / Cyclin, N-terminal domain / Cyclin-like / domain present in cyclins, TFIIB and Retinoblastoma / Cyclin-like superfamily / : / YVTN repeat-like/Quinoprotein amine dehydrogenase / 7 Propeller / Methylamine Dehydrogenase; Chain H / DNA polymerase; domain 1 / Phosphorylase Kinase; domain 1 / Phosphorylase Kinase; domain 1 / Transferase(Phosphotransferase) domain 1 / Transferase(Phosphotransferase); domain 1 / Serine/threonine-protein kinase, active site / Serine/Threonine protein kinases active-site signature. / WD40-repeat-containing domain superfamily / Protein kinase domain / Serine/Threonine protein kinases, catalytic domain / WD40/YVTN repeat-like-containing domain superfamily / Protein kinase, ATP binding site / Protein kinases ATP-binding region signature. / Protein kinase domain profile. / Protein kinase domain / Protein kinase-like domain superfamily / 2-Layer Sandwich / Orthogonal Bundle / Mainly Beta / Mainly Alpha / Alpha Beta
類似検索 - ドメイン・相同性
Chem-RQE / Cyclin-K / DNA damage-binding protein 1 / Cyclin-dependent kinase 12
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: 3.45 Å
データ登録者Kozicka, Z. / Kempf, G. / Focht, V. / Thoma, N.H.
資金援助European Union, スイス, 7件
組織認可番号
European Research Council (ERC)666068European Union
Swiss National Science Foundation31003A_179541 スイス
Swiss National Science Foundation310030_301206 スイス
Swiss Cancer League4980-02-2020 スイス
Swiss National Science FoundationCRSII5_186230 スイス
Marie Sklodowska-Curie Actions, FragNET ITN765445European Union
Other private スイス
引用ジャーナル: Nat.Chem.Biol. / : 2024
タイトル: Design principles for cyclin K molecular glue degraders.
著者: Kozicka, Z. / Suchyta, D.J. / Focht, V. / Kempf, G. / Petzold, G. / Jentzsch, M. / Zou, C. / Di Genua, C. / Donovan, K.A. / Coomar, S. / Cigler, M. / Mayor-Ruiz, C. / Schmid-Burgk, J.L. / ...著者: Kozicka, Z. / Suchyta, D.J. / Focht, V. / Kempf, G. / Petzold, G. / Jentzsch, M. / Zou, C. / Di Genua, C. / Donovan, K.A. / Coomar, S. / Cigler, M. / Mayor-Ruiz, C. / Schmid-Burgk, J.L. / Haussinger, D. / Winter, G.E. / Fischer, E.S. / Slabicki, M. / Gillingham, D. / Ebert, B.L. / Thoma, N.H.
履歴
登録2022年11月30日登録サイト: PDBE / 処理サイト: PDBE
改定 1.02023年9月13日Provider: repository / タイプ: Initial release
改定 1.12024年3月27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_DOI / _citation.pdbx_database_id_PubMed / _citation.title / _citation.year
改定 1.22024年11月20日Group: Structure summary
カテゴリ: pdbx_entry_details / pdbx_modification_feature
Item: _pdbx_entry_details.has_protein_modification

-
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

-
集合体

登録構造単位
G: DNA damage-binding protein 1
H: Cyclin-dependent kinase 12
I: Cyclin-K
D: DNA damage-binding protein 1
E: Cyclin-dependent kinase 12
F: Cyclin-K
A: DNA damage-binding protein 1
B: Cyclin-dependent kinase 12
C: Cyclin-K
ヘテロ分子


分子量 (理論値)分子数
合計 (水以外)498,42518
ポリマ-496,5589
非ポリマー1,8689
00
1
G: DNA damage-binding protein 1
H: Cyclin-dependent kinase 12
I: Cyclin-K
ヘテロ分子


分子量 (理論値)分子数
合計 (水以外)166,1426
ポリマ-165,5193
非ポリマー6233
0
タイプ名称対称操作
identity operation1_555x,y,z1
2
D: DNA damage-binding protein 1
E: Cyclin-dependent kinase 12
F: Cyclin-K
ヘテロ分子


分子量 (理論値)分子数
合計 (水以外)166,1426
ポリマ-165,5193
非ポリマー6233
0
タイプ名称対称操作
identity operation1_555x,y,z1
3
A: DNA damage-binding protein 1
B: Cyclin-dependent kinase 12
C: Cyclin-K
ヘテロ分子


分子量 (理論値)分子数
合計 (水以外)166,1426
ポリマ-165,5193
非ポリマー6233
0
タイプ名称対称操作
identity operation1_555x,y,z1
単位格子
Length a, b, c (Å)249.272, 249.272, 220.107
Angle α, β, γ (deg.)90.000, 90.000, 120.000
Int Tables number152
Space group name H-MP3121
Space group name HallP312"
Symmetry operation#1: x,y,z
#2: -y,x-y,z+1/3
#3: -x+y,-x,z+2/3
#4: x-y,-y,-z+2/3
#5: -x,-x+y,-z+1/3
#6: y,x,-z
非結晶学的対称性 (NCS)NCSドメイン:
IDEns-ID詳細
d_1ens_1(chain "A" and (resid 1 through 393 or resid 709 through 1140))
d_2ens_1(chain "D" and (resid 1 through 393 or resid 709 through 1140))
d_3ens_1(chain "G" and (resid 1 through 393 or resid 709 through 1140))
d_1ens_2(chain "B" and (resid 715 through 1038 or resid 1101))
d_2ens_2chain "E"
d_3ens_2chain "H"
d_1ens_3chain "C"
d_2ens_3chain "F"
d_3ens_3chain "I"

NCSドメイン領域:
Dom-IDComponent-IDEns-IDBeg label comp-IDEnd label comp-IDLabel asym-IDLabel seq-ID
d_11ens_1METGLYI1 - 393
d_12ens_1LYSHISI395 - 826
d_21ens_1METGLYE1 - 393
d_22ens_1LYSHISE396 - 827
d_31ens_1METGLYA1 - 393
d_32ens_1LYSHISA395 - 826
d_11ens_2THRASPJ1 - 324
d_12ens_2D55D55K
d_21ens_2THRASPF1 - 324
d_22ens_2D55D55G
d_31ens_2THRASPB1 - 324
d_32ens_2D55D55C
d_11ens_3THRHISL1 - 248
d_21ens_3THRHISH1 - 248
d_31ens_3THRHISD1 - 248

NCSアンサンブル:
ID
ens_1
ens_2
ens_3

NCS oper:
IDCodeMatrixベクター
1given(-0.476933356585, -0.52172554966, 0.707345053145), (0.505240641387, 0.495787714182, 0.706347249416), (-0.719212393989, 0.694260032911, 0.0271392526597)-126.243069053, 79.6188613114, -107.702384955
2given(-0.512987781969, 0.517220299097, -0.685074227914), (-0.551127182589, 0.413414172358, 0.724808630401), (0.658105131542, 0.749381000757, 0.0729777469067)-178.275965746, -28.1366433047, 33.1781504636
3given(-0.501188083395, -0.513581079505, 0.696451706752), (0.512289295772, 0.472540776101, 0.717122648059), (-0.697402453753, 0.716198079931, 0.0262702836413)-127.732125522, 80.1485201253, -106.6896787
4given(-0.510417285165, 0.505924976407, -0.695351791004), (-0.545740312865, 0.434329968866, 0.716606578995), (0.664561288309, 0.745249888556, 0.0544141313356)-178.090794317, -27.9987559686, 33.3553680261
5given(-0.545759296743, -0.532116025571, 0.647301572182), (0.487531526936, 0.426636796827, 0.761770341925), (-0.68151287608, 0.731323169963, 0.0265823402531)-130.489712169, 81.0972065726, -105.71451557
6given(-0.502075372347, 0.538080080679, -0.677045158951), (-0.504760634641, 0.453366168909, 0.73462631222), (0.70223715524, 0.710583523356, 0.0439776549469)-178.551131898, -26.0377798328, 36.3623243987

-
要素

#1: タンパク質 DNA damage-binding protein 1 / DDB p127 subunit / DNA damage-binding protein a / DDBa / Damage-specific DNA-binding protein 1 / ...DDB p127 subunit / DNA damage-binding protein a / DDBa / Damage-specific DNA-binding protein 1 / HBV X-associated protein 1 / XAP-1 / UV-damaged DNA-binding factor / UV-damaged DNA-binding protein 1 / UV-DDB 1 / XPE-binding factor / XPE-BF / Xeroderma pigmentosum group E-complementing protein / XPCe


分子量: 93675.438 Da / 分子数: 3 / 由来タイプ: 組換発現 / 由来: (組換発現) Homo sapiens (ヒト) / 遺伝子: DDB1, XAP1 / 発現宿主: Trichoplusia ni (イラクサキンウワバ) / 参照: UniProt: Q16531
#2: タンパク質 Cyclin-dependent kinase 12 / Cdc2-related kinase / arginine/serine-rich / CrkRS / Cell division cycle 2-related protein kinase 7 ...Cdc2-related kinase / arginine/serine-rich / CrkRS / Cell division cycle 2-related protein kinase 7 / CDC2-related protein kinase 7 / Cell division protein kinase 12 / hCDK12


分子量: 40143.328 Da / 分子数: 3 / 由来タイプ: 組換発現 / 由来: (組換発現) Homo sapiens (ヒト) / 遺伝子: CDK12, CRK7, CRKRS, KIAA0904 / 発現宿主: Trichoplusia ni (イラクサキンウワバ)
参照: UniProt: Q9NYV4, cyclin-dependent kinase, [RNA-polymerase]-subunit kinase
#3: タンパク質 Cyclin-K


分子量: 31700.471 Da / 分子数: 3 / 由来タイプ: 組換発現 / 由来: (組換発現) Homo sapiens (ヒト) / 遺伝子: CCNK, CPR4 / 発現宿主: Trichoplusia ni (イラクサキンウワバ) / 参照: UniProt: O75909
#4: 化合物
ChemComp-SO4 / SULFATE ION / 硫酸ジアニオン


分子量: 96.063 Da / 分子数: 6 / 由来タイプ: 合成 / : SO4
#5: 化合物 ChemComp-RQE / ~{N}-(1~{H}-benzimidazol-2-ylmethyl)-9-(1-methylpyrazol-4-yl)-2-morpholin-4-yl-purin-6-amine


分子量: 430.466 Da / 分子数: 3 / 由来タイプ: 合成 / : C21H22N10O / タイプ: SUBJECT OF INVESTIGATION
研究の焦点であるリガンドがあるかY
Has protein modificationY

-
実験情報

-
実験

実験手法: X線回折 / 使用した結晶の数: 1

-
試料調製

結晶マシュー密度: 3.93 Å3/Da / 溶媒含有率: 68.68 %
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: 1.42 M ammonium sulphate, 0.07 M HEPES, pH 7.3

-
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: SLS / ビームライン: X10SA / 波長: 1 Å
検出器タイプ: DECTRIS EIGER2 X 16M / 検出器: PIXEL / 日付: 2021年6月27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: 1 Å / 相対比: 1
反射解像度: 3.45→215.874 Å / Num. obs: 77151 / % possible obs: 95.1 % / 冗長度: 21 % / CC1/2: 0.999 / Net I/σ(I): 12.9
反射 シェル解像度: 3.45→3.678 Å / Num. unique obs: 3863 / CC1/2: 0.401

-
解析

ソフトウェア
名称バージョン分類
PHENIX1.20.1_4487精密化
XDSデータ削減
Cootモデル構築
STARANISOデータスケーリング
autoPROCdata processing
PHASER位相決定
精密化構造決定の手法: 分子置換 / 解像度: 3.45→60.68 Å / SU ML: 0.3885 / 交差検証法: FREE R-VALUE / σ(F): 1.35 / 位相誤差: 29.1381
立体化学のターゲット値: GeoStd + Monomer Library + CDL v1.2
Rfactor反射数%反射
Rfree0.2491 3856 5.01 %
Rwork0.2179 73051 -
obs0.2194 76907 73.84 %
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: 150.8 Å2
精密化ステップサイクル: LAST / 解像度: 3.45→60.68 Å
タンパク質核酸リガンド溶媒全体
原子数33583 0 126 0 33709
拘束条件
Refine-IDタイプDev ideal
X-RAY DIFFRACTIONf_bond_d0.005534417
X-RAY DIFFRACTIONf_angle_d0.889746542
X-RAY DIFFRACTIONf_chiral_restr0.05425152
X-RAY DIFFRACTIONf_plane_restr0.00585965
X-RAY DIFFRACTIONf_dihedral_angle_d11.780112946
Refine LS restraints NCS
Ens-IDDom-IDAuth asym-IDRefine-IDタイプRms dev position (Å)
ens_1d_2AX-RAY DIFFRACTIONTorsion NCS0.913006866331
ens_1d_3AX-RAY DIFFRACTIONTorsion NCS1.11802854785
ens_2d_2BX-RAY DIFFRACTIONTorsion NCS1.09590044391
ens_2d_3BX-RAY DIFFRACTIONTorsion NCS1.00862413347
ens_3d_2CX-RAY DIFFRACTIONTorsion NCS0.582323203436
ens_3d_3CX-RAY DIFFRACTIONTorsion NCS0.605489029342
LS精密化 シェル
解像度 (Å)Rfactor RfreeNum. reflection RfreeRfactor RworkNum. reflection RworkRefine-ID% reflection obs (%)
3.45-3.490.234760.435151X-RAY DIFFRACTION1.56
3.49-3.530.4082130.3801292X-RAY DIFFRACTION8.36
3.53-3.580.3593540.3616753X-RAY DIFFRACTION22.08
3.58-3.630.36380.34521149X-RAY DIFFRACTION32.36
3.63-3.680.331740.34311380X-RAY DIFFRACTION39.36
3.68-3.730.2924890.32821626X-RAY DIFFRACTION46.2
3.73-3.790.31331030.31851869X-RAY DIFFRACTION53.49
3.79-3.850.33111250.30551978X-RAY DIFFRACTION57.43
3.85-3.920.30561120.31852193X-RAY DIFFRACTION62.23
3.92-3.990.33731370.31162317X-RAY DIFFRACTION66.87
3.99-4.070.34141160.30952511X-RAY DIFFRACTION70.73
4.07-4.150.34811420.29172616X-RAY DIFFRACTION74.08
4.15-4.240.28421380.26942746X-RAY DIFFRACTION78.75
4.24-4.340.23591250.25192903X-RAY DIFFRACTION81.84
4.34-4.450.28071660.24853025X-RAY DIFFRACTION86.13
4.45-4.570.25771830.23993179X-RAY DIFFRACTION90.94
4.57-4.70.26711810.23913340X-RAY DIFFRACTION94.42
4.7-4.860.2491890.2343378X-RAY DIFFRACTION97.06
4.86-5.030.25982010.24443517X-RAY DIFFRACTION99.65
5.03-5.230.26411780.24173540X-RAY DIFFRACTION100
5.23-5.470.24331430.23293581X-RAY DIFFRACTION100
5.47-5.760.28011710.23033558X-RAY DIFFRACTION100
5.76-6.120.26971970.23013531X-RAY DIFFRACTION100
6.12-6.590.2871930.23253555X-RAY DIFFRACTION100
6.59-7.250.2972140.22613559X-RAY DIFFRACTION100
7.25-8.30.2031830.193593X-RAY DIFFRACTION100
8.3-10.450.18661990.14283604X-RAY DIFFRACTION99.84
10.45-60.680.19431860.16033707X-RAY DIFFRACTION98.98
精密化 TLS

手法: refined / Refine-ID: X-RAY DIFFRACTION

IDL112)L122)L132)L222)L232)L332)S11 (Å °)S12 (Å °)S13 (Å °)S21 (Å °)S22 (Å °)S23 (Å °)S31 (Å °)S32 (Å °)S33 (Å °)T112)T122)T132)T222)T232)T332)Origin x (Å)Origin y (Å)Origin z (Å)
10.6280193835940.513187088985-0.4920333454090.2621701538280.1575860916680.939981167494-0.0830793131223-0.277010612955-0.3670350979250.4304480198860.0173849064363-0.335030015970.190243002950.188898510245-5.68964682235E-61.485147755770.1064447557-0.365481603831.233213286760.0586968786261.54887721972-56.8921426352-8.7494212700227.8725955258
2-0.377751531947-0.514383271475-0.6923854274671.90823833898-0.790487395936-0.511925849564-0.0220853785357-0.3460963696340.1645650541810.3561465240290.1157085758620.05669650816110.0252964577942-0.0509102751783-1.75657745189E-51.51069379471-0.0871565180843-0.1712996728251.21754789396-0.06463435439781.11491957611-77.051742975510.458801846236.3567541918
31.249434924320.453369851006-0.07994354961290.649454579007-0.9834140670481.131142601740.02862131426750.322589525809-0.09614317007340.0236640026227-0.003784166782890.01055423894220.1465415819390.06092292943856.26687578899E-51.36951604549-0.04899830287270.04719320124791.08457284373-0.08679892122881.19226720458-89.02771730219.272134541620.0056062269
42.34098976691-1.064148400050.1633044825750.657410463939-0.1411568144141.149252740840.02103263491110.05029197390590.433522105268-0.04619454924730.116059038657-0.413360896387-0.4013933612080.3306269760223.24886788172E-51.33509901664-0.257756410906-0.1364870237141.12202930463-0.1029525312321.345019501-59.68059367928.684401350921.9893089487
5-0.1105564005990.329443788612-0.3522125475920.190357911377-0.0800460451630.03006739055950.2151438090920.3322404763490.69304594967-0.1203562582730.01307953349580.0439340299556-0.265590576997-0.31433218437-8.51074020376E-51.37567720396-0.115556191723-0.1283643804891.27917930542-0.04271530222681.4326917979-59.100201211131.7070929005-14.7795304473
62.14520132378-0.4983628156480.6935031854121.86128984127-2.717906355011.054909203140.1878732066450.2637246696110.219776758162-0.049150567748-0.03263732123020.303041201507-0.04710126018170.0788414755911-9.85021731949E-61.29058746773-0.1018702789980.1746084878681.18852819183-0.1560293209741.297867575-54.913262839520.1502343413-12.1117794496
72.00627951418-2.415174543940.8072234211621.64247705722-0.07799259776521.296195753220.1173142147520.2190789620430.250489156920.162766231708-0.307962424626-0.1739990383320.2670185952980.3096676229192.0048867185E-51.21345645639-0.107625880126-0.02809188098961.35742291956-0.259082238451.49088488564-43.55069033895.75998584882-4.43251442852
80.4880537782510.0333449190121-0.1047686604178.88749305186E-5-0.1524958421010.3527386938520.4381006889870.279027771810.3786455823381.14920778134-0.4648845441030.2641897262-0.06413807834540.07052651471390.0003985766921711.4242418188-0.0838070633380.07619932263271.084782941640.05889424362331.33400525081-59.302876289840.5727769001-42.5364407228
90.000192638499659-0.174746749710.0351409954081-0.0521517723350.1705445254840.199156443004-0.05852136340310.490852008862-0.184996812056-1.577298839360.503706951286-0.6880303046470.6218701554770.205574141128-0.0001904423277391.39389690993-0.1699232705650.1840259624171.33474575294-0.278332443241.65175006429-42.129602606343.7492590898-41.9608747313
100.7318834347330.6686648020660.2346247806160.445229545367-0.9015798495513.24525475094-0.194717263234-0.3078209451710.3707551271290.526347375608-0.146145202631-0.3950782608370.0496091438458-0.0249308350834-5.80064118155E-51.20618103496-0.125370361727-0.1054983292891.15268136172-0.2122329507371.68292329912-43.675990528943.3833763634-30.5458049029
111.11641481888-1.25322049178-0.5443979004851.1835674278-0.05078208283260.1023698109820.05965886327860.239135666736-0.4933653517220.01704230006870.0219130580243-0.08905106671360.1317971808240.131965740402-3.6444316175E-51.17724777209-0.01753425507990.1332789928991.22507243037-0.226446515021.72172340929-43.905294765424.3507411559-45.868679951
12-0.01384824202610.144697655498-0.1223830304730.006636665319210.1196662413140.07054898253310.4556812403090.5664213815030.2624169502610.573559590939-0.288787597351-0.7267362977660.767340852305-1.20462025044-0.0004184319795531.50857478689-0.08523401036380.006817461425151.42919526208-0.3162614268091.93020535037-48.585361823813.3267730595-55.1584616489
130.283884018307-0.2414373302150.03487964075950.0302238809336-0.00718414294331-0.294577379334-0.7329574322112.093407459272.79684384974-1.55089518557-0.0187498955347-0.6434177787290.02132461251670.03817849252040.00140057100841.52441246856-0.01049645914470.009517180992641.442730661580.2136483374611.82298301349-44.199923696833.3458534304-56.1105080153
142.12768945775-0.7870943363180.68224142711.22897828806-0.01490328762210.763922338028-0.04587350441440.430180429320.0133735624816-0.373855434520.00540630965882-0.00230303260149-0.2180238718220.469086598637-2.02768083838E-51.50133199369-0.1362234293120.1105567126341.218331720440.03771241838110.995038193314-74.847037486666.2150468347-72.1236885158
151.89747209768-0.590781343541-1.09011649064-0.1104591029880.2234587551320.94619482937-0.0836798484224-0.2435845861370.125699736591-0.0893313450956-0.026553910638-0.306411240853-0.2126116547560.05744463079944.7365765365E-51.31432810508-0.114108657231-0.1620154199911.08797412625-0.1165634524071.22650955964-69.268950275371.6594394163-44.050936427
160.585510552721-0.901459443695-1.035470522620.9777553433930.07898064006381.885971592750.151370793006-0.4922445528660.169242236917-0.554901308141-0.0385778340367-0.4782491810960.05097866997830.0030568980277-0.0001336781985051.09389432191-0.1950600811-0.1698069915211.29350829092-0.1458542600771.08687511038-76.238791824857.2627998124-31.7134466584
171.87257856436-0.3793017818560.4732782585511.5126359376-1.608094116062.829962954250.0681970183992-0.2379236397420.4065498233230.125911391803-0.04618962457820.277991135405-0.365830149885-0.522197790265-2.46242013313E-51.232471419540.0238868549145-0.121701168160.968680952421-0.2761913748751.16524246587-95.790187058277.0700415826-42.2235230159
182.41436332043-0.643198921797-0.251868967350.8051533176140.5099943216472.54998918370.143430542436-0.642412997939-0.3651199937570.0724063821860.04167516331510.08512484506240.0665658374620.223390917812-6.59156512944E-61.28232349325-0.0498685072886-0.1146906408311.01401876941-0.07989785825281.2642849343-121.51272860853.5252151847-49.3670562049
191.92119363478-0.821035239429-0.2862522564372.682716439081.441763997974.78554186334-0.0260150978710.145882992338-0.246479191333-0.4912373430390.318679588313-0.149136086467-0.4276531338130.116222065268-5.65669633209E-51.351894603950.0704057078508-0.09867317132331.00741985877-0.09528932941731.07592978382-111.95067250357.3386824771-72.342657037
200.1432395567630.3255117231490.0405844059044-0.0623131234435-0.1399964045870.412519532774-0.48046089336-0.334162409216-0.1905036454720.6754677729610.6051637287110.3598448890020.6611505133930.0166930792461-0.0002889618678481.396757335190.06635783630430.04974762749251.095528322050.1595271655191.20089467156-147.29740388237.0152216839-36.7634072556
211.334681006060.267544507471-0.5579613457271.23989849071.172237922321.49589691555-0.112060695481-0.0106376101939-0.5325058604860.09585521047090.007201558292040.152934046857-0.225905289923-0.517906312687-0.0001068676565171.100221806060.0774611508325-0.1562692558720.9425571210860.007091641523271.23596290719-151.54472652149.1401839109-45.6127289514
220.3958428918660.4017979241940.3468047493321.20294668566-0.3553840050570.6249836982840.3071775336220.6340931166620.477303933625-0.414194999566-0.202150351203-0.87163023661-0.275224553536-0.558107143449-0.0001851062235971.248770159760.2152384116360.02201251504451.18617029118-0.1430781745991.06175770593-150.71971068460.0687792975-44.6317660889
230.291067916958-0.471460835478-0.6919949169070.5412007947620.05369188584061.055281506470.2028961372990.1173229041220.09559473034870.0708175930581-0.217639880677-0.1051733863640.5632128656810.3196903685969.05671456115E-51.140517389670.0658632381201-0.1122147814141.020018677690.002390906784471.02190601313-149.06248389535.1488184552-59.244858072
240.130256749546-0.115077787212-0.2916839843940.2906715033890.3134613990130.1032039754120.5717007781940.33630325542-0.633169762322-0.201329194688-0.112891005594-0.359919353291-0.0308429247770.279512538930.0002145287745481.465415280370.275612187952-0.01113889589321.09323211268-0.09805145838171.33456503589-146.86971721520.9396326785-64.3087341431
250.122427222502-0.203080198718-0.124916667718-0.2004683738210.0129584985727-0.06794908750520.54537436214-1.07383064159-0.3166874897241.59676125614-0.2102867195091.51473004721-0.408664679552-1.46530932580.0008154205103311.42951983673-0.04004182340540.09524676388291.413992746560.01149787341441.12441984204-160.35191209531.1332086344-52.7168981637
260.561742158308-0.114684354214-0.464790447670.410367491765-0.2725478618842.48990176913-0.02310391724940.173054378979-0.0320588208845-0.04091842540390.1969946407560.4623637330780.0991833250037-0.449084946683.1499690949E-61.3105724460.0647490604712-0.02399403802151.197252959560.08517589741521.45485992896-172.74764770119.6924046591-8.82482524186
270.6292148634630.28843893330.2399437298211.50972202805-0.3071067978370.843951012951-0.128961449163-0.1357812342990.7894127830540.5076606807270.08771583253570.623592372094-0.183897319265-0.2985055433053.90732827649E-51.746666702380.2032324004-0.02640827052260.98452578616-0.0105828591131.36989394366-159.46480629444.9446629563-5.20770934259
28-0.10158878421.136081251750.5243165730481.404654154760.0460350799168-0.08522736715660.04298838508940.167619854745-0.05277187524030.25721881485-0.168823213722-0.376913221928-0.2788235385710.298351736017-2.66398111681E-51.513574746620.0261058968898-0.07900563450681.15995059337-0.004809531169821.17956183174-140.45571440641.9609460375-18.4025251979
291.148265989480.2448603435780.5192089966080.272236154431-0.4185817415540.852952436117-0.3235207606910.08055319198960.246041651714-0.09114297337430.09281853317620.303795588711-0.2088845566110.0324360369294.77007621552E-71.73052407927-0.0235349733057-0.1559616239510.9108914854280.05163949481871.28766385002-135.95930517745.331691714-5.57569047466
302.854982765980.214446988691-0.79374310960.489560438052-0.4074216062820.633827497958-0.0719823968395-0.4323481496070.1962334456950.5792856764620.0607143620287-0.17509117871-0.2548626262340.110721613422-6.60164382532E-61.796391352540.05995799603330.0755739532140.997914530697-0.06480651395741.14972815945-147.88870240432.622144200917.027127804
310.04107126219710.07722733736360.4382462481630.237517832405-0.7212580826880.934910758708-0.234288805226-0.01566269191180.534129461599-0.4506854565220.104814522777-0.19886567723-0.7509585044160.1053604469160.0001329876326671.73098380011-0.05524944593360.01013467986361.14175007409-0.102292235231.35367582095-120.75329560711.206456139418.3590767434
32-0.202941784190.2215278955960.245390632954-0.5257969767920.8665560497850.2086613150550.211575940345-0.1310093671720.329109079909-0.170696798143-0.28571305799-0.295846155833-0.188197874169-0.149985408493-7.61552846524E-51.35526053075-0.0282905939746-0.004915304911661.23876753455-0.0460224436351.54076223713-118.9852006123.8951279255619.9927805129
331.64960408024-0.05108580278270.7039996627653.41373210222-0.3114390232872.18220296467-0.1162741575060.4176981925240.172247927129-0.3611765905910.08714218003390.0643838362985-0.5010198790260.1980298539874.46215597413E-51.32478113193-0.1128190857210.1931768081430.819981755955-0.02902304837790.925302124466-135.157403723.572283215765.14946631518
341.04974030440.08562840722330.470898293770.07254635034410.099091705660.3990857161860.152865515508-0.8219162561680.5064204349570.8880714728080.3169646620150.138310640362-0.223887721758-0.5509631963610.0001178381686921.43756133906-0.155667078549-0.09914238583461.234170009780.1549254075031.31798009655-133.226787615-9.3112273171417.5448423091
351.42957899007-0.364740292378-0.4843254803760.311706783012-0.4590823967240.4529375629730.192332824264-0.360200895193-0.2461859142840.0933788569051-0.1612077020620.550251251748-0.192476823758-0.00948456400350.0001017586280021.40458009702-0.07894474703990.1124466072911.073661336910.06288049528341.04281761484-150.78681341-5.9424095082815.2271425615
360.8494728134880.08039812151970.6926702270192.194347947590.7399528825070.850485032895-0.1778653828360.158549649317-0.632086328983-0.4158772722220.09462177117390.195481378149-0.146092153103-0.178414580661.86819896016E-51.476204812870.04844213299350.07183109704520.984591266790.04849907279791.05219780741-148.788111254-3.45480292890.872140521178
370.7174108465690.127645587572-0.290404954317-0.0915816749325-0.4671507875680.354155830666-0.7156518157320.7615331032960.450639849147-0.275881544253-0.137781883773-0.480912603466-0.4667011144550.384106547595-0.0009516827066531.31319970140.0991451648898-0.04590945951281.289618488670.02454581590721.40020261728-98.1741055992-9.0135314995321.5659035857
380.01730538630710.459031326967-0.1227942403010.43242215305-0.00946151795256-0.1373238552030.181767705875-0.83715897601-1.171243887650.773708192578-0.240661465721-0.3234644085441.826447099070.417663123459.13145662168E-51.808644509930.0007249573896110.194529289331.066386497350.1369591390351.13661504303-105.436451053-15.668302262436.0860835335
392.05782893738-1.346748654010.057512652790.999446255958-0.5809313099231.11480985029-0.0336127933061-0.5122073384470.33541035764-0.242337717946-0.3791043568730.222979337644-0.223111513865-0.5992984241720.0002242233433061.4650578485-0.1793924626550.04396968539721.07078803117-0.08065494151370.865483961807-112.619772728-6.8233916191935.1758299525
401.299124767351.047981037950.2326253451050.4374415545670.2926312914660.667648683466-0.04784764192150.30531322932-0.230806096624-0.5955654183090.007915737560090.448346659670.235650507833-0.427299288194-1.9603536869E-51.45948168578-0.2534645609570.002401334602980.9075611350490.01973072483051.16230784658-112.343021114-26.505023015120.8247148341
41-0.114143347408-0.0606046307997-0.02567701018820.1926109712550.2324526347370.2421093770970.5158520645231.02088251238-0.862338909439-0.5229924416910.1962833203630.5581049593040.562449383730.8595851303715.02884989606E-51.76901267147-0.1918087369390.3256254798651.15106479399-0.0908708870621.24884123762-109.679388379-35.89251177099.28283534784
42-0.2535161049310.09213842250650.122790262819-0.2713372120090.09066809875140.0628498509131-0.043132167534-1.1960842557-0.535163539636-0.253702870806-1.68266695887-2.048072067431.39191074572.57665266283-0.006217282603621.3256119604-0.0283493685684-0.2310372874411.576975918070.05217517085661.41913831106-100.304039362-29.838748440926.6006546015
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 'G' and (resid 1 through 307 )GA1 - 3071 - 307
22chain 'G' and (resid 308 through 761 )GA308 - 761308 - 447
33chain 'G' and (resid 762 through 856 )GA762 - 856448 - 542
44chain 'G' and (resid 857 through 1140 )GA857 - 1140543 - 826
55chain 'H' and (resid 715 through 794 )HB715 - 7941 - 80
66chain 'H' and (resid 795 through 892 )HB795 - 89281 - 178
77chain 'H' and (resid 894 through 1038 )HB894 - 1038180 - 324
88chain 'I' and (resid 20 through 42 )ID20 - 421 - 23
99chain 'I' and (resid 43 through 63 )ID43 - 6324 - 44
1010chain 'I' and (resid 64 through 150 )ID64 - 15045 - 131
1111chain 'I' and (resid 151 through 218 )ID151 - 218132 - 199
1212chain 'I' and (resid 219 through 243 )ID219 - 243200 - 224
1313chain 'I' and (resid 244 through 267 )ID244 - 267225 - 248
1414chain 'D' and (resid 1 through 307 )DE1 - 3071 - 307
1515chain 'D' and (resid 308 through 761 )DE308 - 761308 - 448
1616chain 'D' and (resid 762 through 819 )DE762 - 819449 - 506
1717chain 'D' and (resid 820 through 1140 )DE820 - 1140507 - 827
1818chain 'E' and (resid 715 through 892 )EF715 - 8921 - 178
1919chain 'E' and (resid 894 through 1038 )EF894 - 1038180 - 324
2020chain 'F' and (resid 20 through 42 )FH20 - 421 - 23
2121chain 'F' and (resid 43 through 106 )FH43 - 10624 - 87
2222chain 'F' and (resid 107 through 150 )FH107 - 15088 - 131
2323chain 'F' and (resid 151 through 218 )FH151 - 218132 - 199
2424chain 'F' and (resid 219 through 243 )FH219 - 243200 - 224
2525chain 'F' and (resid 244 through 267 )FH244 - 267225 - 248
2626chain 'A' and (resid 1 through 307 )AI1 - 3071 - 307
2727chain 'A' and (resid 308 through 743 )AI308 - 743308 - 429
2828chain 'A' and (resid 744 through 795 )AI744 - 795430 - 481
2929chain 'A' and (resid 796 through 856 )AI796 - 856482 - 542
3030chain 'A' and (resid 857 through 1140 )AI857 - 1140543 - 826
3131chain 'B' and (resid 715 through 768 )BJ715 - 7681 - 54
3232chain 'B' and (resid 769 through 808 )BJ769 - 80855 - 94
3333chain 'B' and (resid 809 through 872 )BJ809 - 87295 - 158
3434chain 'B' and (resid 873 through 892 )BJ873 - 892159 - 178
3535chain 'B' and (resid 894 through 970 )BJ894 - 970180 - 256
3636chain 'B' and (resid 971 through 1039 )BJ971 - 1039257 - 325
3737chain 'C' and (resid 20 through 42 )CL20 - 421 - 23
3838chain 'C' and (resid 43 through 63 )CL43 - 6324 - 44
3939chain 'C' and (resid 64 through 150 )CL64 - 15045 - 131
4040chain 'C' and (resid 151 through 218 )CL151 - 218132 - 199
4141chain 'C' and (resid 219 through 243 )CL219 - 243200 - 224
4242chain 'C' and (resid 244 through 267 )CL244 - 267225 - 248

+
万見について

-
お知らせ

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

EMDBエントリの付随情報ファイルのフォーマットが新しくなりました

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

関連情報:EMDBヘッダ

外部リンク:wwPDBはEMDBデータモデルのバージョン3へ移行します

-
2020年8月12日: 新型コロナ情報

新型コロナ情報

URL: https://pdbj.org/emnavi/covid19.php

新ページ: EM Navigatorに新型コロナウイルスの特設ページを開設しました。

関連情報:Covid-19情報 / 2020年3月5日: 新型コロナウイルスの構造データ

+
2020年3月5日: 新型コロナウイルスの構造データ

新型コロナウイルスの構造データ

関連情報:万見生物種 / 2020年8月12日: 新型コロナ情報

外部リンク:COVID-19特集ページ - PDBj / 今月の分子2020年2月:コロナウイルスプロテーアーゼ

+
2019年1月31日: EMDBのIDの桁数の変更

EMDBのIDの桁数の変更

  • EMDBエントリに付与されているアクセスコード(EMDB-ID)は4桁の数字(例、EMD-1234)でしたが、間もなく枯渇します。これまでの4桁のID番号は4桁のまま変更されませんが、4桁の数字を使い切った後に発行されるIDは5桁以上の数字(例、EMD-12345)になります。5桁のIDは2019年の春頃から発行される見通しです。
  • EM Navigator/万見では、接頭語「EMD-」は省略されています。

関連情報:Q: 「EMD」とは何ですか? / 万見/EM NavigatorにおけるID/アクセスコードの表記

外部リンク:EMDB Accession Codes are Changing Soon! / PDBjへお問い合わせ

+
2017年7月12日: PDB大規模アップデート

PDB大規模アップデート

  • 新バージョンのPDBx/mmCIF辞書形式に基づくデータがリリースされました。
  • 今回の更新はバージョン番号が4から5になる大規模なもので、全エントリデータの書き換えが行われる「Remediation」というアップデートに該当します。
  • このバージョンアップで、電子顕微鏡の実験手法に関する多くの項目の書式が改定されました(例:em_softwareなど)。
  • EM NavigatorとYorodumiでも、この改定に基づいた表示内容になります。

外部リンク:wwPDB Remediation / OneDepデータ基準に準拠した、より強化された内容のモデル構造ファイルが、PDBアーカイブで公開されました。

-
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