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- PDB-8bus: Structure of DDB1 bound to DS59-engaged CDK12-cyclin K -

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基本情報

登録情報
データベース: PDB / ID: 8bus
タイトルStructure of DDB1 bound to DS59-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 / negative regulation by host of viral genome replication / positive regulation by virus of viral protein levels in host cell / RNA polymerase II CTD heptapeptide repeat Y1 kinase activity / RNA polymerase II CTD heptapeptide repeat S2 kinase activity / RNA polymerase II CTD heptapeptide repeat T4 kinase activity ...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 / negative regulation by host of viral genome replication / positive regulation by virus of viral protein levels in host cell / RNA polymerase II CTD heptapeptide repeat Y1 kinase activity / RNA polymerase II CTD heptapeptide repeat S2 kinase activity / RNA polymerase II CTD heptapeptide repeat T4 kinase activity / RNA polymerase II CTD heptapeptide repeat S5 kinase activity / RNA polymerase II CTD heptapeptide repeat S7 kinase activity / negative regulation of stem cell differentiation / epigenetic programming in the zygotic pronuclei / spindle assembly involved in female meiosis / Cul4-RING E3 ubiquitin ligase complex / cyclin-dependent protein serine/threonine kinase activator activity / UV-damage excision repair / positive regulation of DNA-templated transcription, elongation / [RNA-polymerase]-subunit kinase / regulation of cyclin-dependent protein serine/threonine kinase activity / biological process involved in interaction with symbiont / regulation of mitotic cell cycle phase transition / WD40-repeat domain binding / Cul4A-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 / ectopic germ cell programmed cell death / regulation of signal transduction / 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 / 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 / nucleotide-excision repair / positive regulation of transcription elongation by RNA polymerase II / TP53 Regulates Transcription of DNA Repair Genes / Recognition of DNA damage by PCNA-containing replication complex / SMAD2/SMAD3:SMAD4 heterotrimer regulates transcription / regulation of circadian rhythm / DNA Damage Recognition in GG-NER / Dual Incision in GG-NER / Transcription-Coupled Nucleotide Excision Repair (TC-NER) / Formation of TC-NER Pre-Incision Complex / Wnt signaling pathway / Formation of Incision Complex in GG-NER / mRNA processing / Dual incision in TC-NER / positive regulation of protein catabolic process / Gap-filling DNA repair synthesis and ligation in TC-NER / cellular response to UV / rhythmic process / site of double-strand break / Neddylation / ubiquitin-dependent protein catabolic process / protein autophosphorylation / protein-macromolecule adaptor activity / proteasome-mediated ubiquitin-dependent protein catabolic process / transcription by RNA polymerase II / damaged DNA binding / chromosome, telomeric region / protein kinase activity / nuclear speck / protein ubiquitination / cell division / protein serine kinase activity / DNA repair / apoptotic process / DNA damage response / protein-containing complex binding / negative regulation of apoptotic process / protein kinase binding / nucleolus / positive regulation of transcription by RNA polymerase II / protein-containing complex / DNA binding / extracellular space / 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-RMX / 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: 3.26 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
組織認可番号国
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. / 年: 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10月16日Group: Structure summary
カテゴリ: pdbx_entry_details / pdbx_modification_feature
Item: _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
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
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)499,54326
ポリマ－496,5589
非ポリマー2,98517
水00
1
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)166,5469
ポリマ－165,5193
非ポリマー1,0276
水0
タイプ名称対称操作数
identity operation1_555x,y,z1
2
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)166,3547
ポリマ－165,5193
非ポリマー8354
水0
タイプ名称対称操作数
identity operation1_555x,y,z1
3
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)166,64210
ポリマ－165,5193
非ポリマー1,1237
水0
タイプ名称対称操作数
identity operation1_555x,y,z1
単位格子
Length a, b, c (Å)249.522, 249.522, 218.546
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_2chain "B"
d_2ens_2(chain "E" and (resid 715 through 1039 or resid 1101))
d_3ens_2(chain "H" and (resid 715 through 1039 or resid 1101))
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_1METGLYE1 - 393
d_12ens_1LYSHISE396 - 827
d_21ens_1METGLYA1 - 393
d_22ens_1LYSHISA395 - 826
d_31ens_1METGLYI1 - 393
d_32ens_1LYSHISI395 - 826
d_11ens_2THRCYSF1 - 325
d_12ens_2D59D59G
d_21ens_2THRCYSB1 - 325
d_22ens_2D59D59C
d_31ens_2THRCYSJ1 - 325
d_32ens_2D59D59K
d_11ens_3THRHISH1 - 248
d_21ens_3THRHISD1 - 248
d_31ens_3THRHISL1 - 248

NCSアンサンブル:
ID
ens_1
ens_2
ens_3

NCS oper:
IDCodeMatrixベクター
1given(-0.478811495666, 0.508949172597, -0.715339284068), (-0.513983801778, 0.498061445767, 0.698394908165), (0.711730428693, 0.70207231533, 0.0231140848618)-178.962136384, -30.0177557058, 37.0818917724
2given(-0.506891571255, -0.496929632036, 0.704359195152), (0.556082890517, 0.435848089954, 0.707678077488), (-0.658659816495, 0.750398149843, 0.055406343021)-128.26380832, 83.6874305976, -104.157180798
3given(-0.514545467386, 0.496070898189, -0.699397330537), (-0.518834859917, 0.469276354265, 0.714555870078), (0.682681001733, 0.730543200158, 0.0159148539324)-180.986415238, -28.029454117, 32.0960149463
4given(-0.4688037205, -0.527044734973, 0.708834902486), (0.540125495743, 0.46392316941, 0.702167887142), (-0.698918822535, 0.712038721013, 0.0671813909108)-122.453076404, 80.0710907362, -106.065120127
5given(-0.544110907657, 0.485899501537, -0.683991955051), (-0.51628971937, 0.44870378049, 0.729458595841), (0.661353344168, 0.750044393206, 0.00672029601909)-183.576750794, -26.0074085408, 27.8501653622
6given(-0.463067107892, -0.524144464629, 0.714731721549), (0.524471263654, 0.488020253767, 0.697686265821), (-0.714491950403, 0.697931810503, 0.0489125821968)-121.839434346, 76.4607902761, -108.015323757

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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: 14 / 由来タイプ: 合成 / 式: SO4
#5: 化合物 ChemComp-RMX / 1,3-dimethyl-5-[[[9-propan-2-yl-6-[(4-pyridin-2-ylphenyl)methylamino]purin-2-yl]amino]methyl]pyrazole-4-sulfonamide


分子量: 546.647 Da / 分子数: 3 / 由来タイプ: 合成 / 式: C26H30N10O2S / 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

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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: 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: 1.40 M ammonium sulphate, 0.07 M HEPES, pH 7.0

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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: 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: 3.253→216.091 Å / Num. obs: 102328 / % possible obs: 94.2 % / 冗長度: 20.8 % / CC1/2: 0.998 / Net I/σ(I): 12.4
反射 シェル解像度: 3.253→3.43 Å / Num. unique obs: 5114 / CC1/2: 0.379

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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: 3.26→60.4 Å / SU ML: 0.3515 / 交差検証法: FREE R-VALUE / σ(F): 1.35 / 位相誤差: 24.5739
立体化学のターゲット値: GeoStd + Monomer Library + CDL v1.2
Rfactor反射数%反射
Rfree0.2282 5017 4.93 %
Rwork0.2081 96820 -
obs0.2091 101837 83.17 %
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: 129.83 Å2
精密化ステップサイクル: LAST / 解像度: 3.26→60.4 Å
タンパク質核酸リガンド溶媒全体
原子数33683 0 187 0 33870
拘束条件
Refine-IDタイプDev ideal数
X-RAY DIFFRACTIONf_bond_d0.003634573
X-RAY DIFFRACTIONf_angle_d0.721946766
X-RAY DIFFRACTIONf_chiral_restr0.04925171
X-RAY DIFFRACTIONf_plane_restr0.00425982
X-RAY DIFFRACTIONf_dihedral_angle_d11.567612978
Refine LS restraints NCS
Ens-IDDom-IDAuth asym-IDRefine-IDタイプRms dev position (Å)
ens_1d_2EX-RAY DIFFRACTIONTorsion NCS1.12673140323
ens_1d_3EX-RAY DIFFRACTIONTorsion NCS0.857611810165
ens_2d_2FX-RAY DIFFRACTIONTorsion NCS0.925417196028
ens_2d_3FX-RAY DIFFRACTIONTorsion NCS0.939800383156
ens_3d_2HX-RAY DIFFRACTIONTorsion NCS0.697008899398
ens_3d_3HX-RAY DIFFRACTIONTorsion NCS0.615390050509
LS精密化 シェル
解像度 (Å)Rfactor RfreeNum. reflection RfreeRfactor RworkNum. reflection RworkRefine-ID% reflection obs (%)
3.26-3.290.305340.3882150X-RAY DIFFRACTION3.85
3.3-3.330.2958200.3454578X-RAY DIFFRACTION15
3.33-3.370.31570.3381395X-RAY DIFFRACTION35.84
3.37-3.420.28971000.31921880X-RAY DIFFRACTION48.79
3.42-3.460.30691070.32272181X-RAY DIFFRACTION56.72
3.46-3.510.30321020.31372512X-RAY DIFFRACTION64.54
3.51-3.560.32071430.30382713X-RAY DIFFRACTION70.82
3.56-3.610.31461640.29313008X-RAY DIFFRACTION78.38
3.61-3.670.28911660.29583168X-RAY DIFFRACTION82.48
3.67-3.730.30071770.28353516X-RAY DIFFRACTION90.21
3.73-3.790.3131820.28223707X-RAY DIFFRACTION96.5
3.79-3.860.31542320.27363802X-RAY DIFFRACTION99.26
3.86-3.940.2702970.27671920X-RAY DIFFRACTION49.99
3.94-4.020.2722180.25533854X-RAY DIFFRACTION100
4.02-4.10.24011950.23573867X-RAY DIFFRACTION100
4.1-4.20.2282100.22483875X-RAY DIFFRACTION100
4.2-4.30.20931790.21063882X-RAY DIFFRACTION100
4.3-4.420.21271930.20543855X-RAY DIFFRACTION100
4.42-4.550.21732160.19513874X-RAY DIFFRACTION100
4.55-4.70.21732040.19183882X-RAY DIFFRACTION100
4.7-4.870.21522130.19173846X-RAY DIFFRACTION100
4.87-5.060.23322130.19443855X-RAY DIFFRACTION99.98
5.06-5.290.22971790.20513917X-RAY DIFFRACTION100
5.29-5.570.23581750.21213929X-RAY DIFFRACTION100
5.57-5.920.24442030.21713913X-RAY DIFFRACTION100
5.92-6.370.26252260.213882X-RAY DIFFRACTION100
6.37-7.010.24421980.21113922X-RAY DIFFRACTION100
7.02-8.030.21972240.19263906X-RAY DIFFRACTION100
8.03-10.110.17342260.14943949X-RAY DIFFRACTION99.95
10.11-60.40.17151940.16264082X-RAY DIFFRACTION98.91
精密化 TLS

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

IDL11 (°2)L12 (°2)L13 (°2)L22 (°2)L23 (°2)L33 (°2)S11 (Å °)S12 (Å °)S13 (Å °)S21 (Å °)S22 (Å °)S23 (Å °)S31 (Å °)S32 (Å °)S33 (Å °)T11 (Å2)T12 (Å2)T13 (Å2)T22 (Å2)T23 (Å2)T33 (Å2)Origin x (Å)Origin y (Å)Origin z (Å)
11.431122749650.578818655529-0.7504569706770.409605265188-0.636921642580.9229203636360.182814252927-0.714622884759-0.0976738021815-0.189421494662-0.2006674229660.08237858658750.1471264868160.753996923740.09266309874291.471692710210.0286733492103-0.430756919181.49118101553-0.09543295316971.43663113087-53.90439696114.605716967437.7032848716
21.503917601060.118378614049-0.6742743521691.871560780960.004626078998362.32821473487-0.212672967257-0.205385002755-0.3498780816030.2685996414810.125808276535-0.1942944861160.428691765710.2664615207850.05132136941581.342680489530.198566578482-0.2511196484751.115975695480.000793209017331.40101114172-58.5506629716-11.743052913124.4677943845
30.2692237813670.695246933696-0.7682420485662.23074387493-0.1565808236110.935660888282-0.039342973559-0.6318069797420.3142261268240.694591953367-0.00750439638606-0.452680680488-0.1251541360510.2550844342340.0610421884131.34397891532-0.0300053972537-0.2410104390891.25179626985-0.1202897811841.0961680129-73.3488471019.9300802404939.3523930952
41.64205211486-0.237292248288-0.4334762119923.05685140383-1.132748989070.9286775372230.131106637441-0.07100910209410.1155749137230.1757528471260.01018320545090.198179808681-0.135979633358-0.1416193766720.02400225894451.11829721722-0.0262367506478-0.04125009981470.84258452852-0.08850654364980.954805590977-88.952314588518.840224454822.3889614432
51.56961984524-1.056160965350.1581944294551.0567627683-0.1938321665092.061829254810.1549016730890.1604273768180.4806428545580.0352211479376-0.00869105682923-0.432563931166-0.3193044780990.2514521582740.0698551188361.22399458884-0.0886869120134-0.06327849172880.959780904351-0.1670016311961.2490652698-66.505555179731.224800112417.4417541362
61.58160672543-0.340632148848-0.1492993898981.136782868420.4810331987023.02338265175-0.112182068347-0.5833799896660.5067765778390.2738932004580.00521649491461-0.764815867068-0.7724345908650.02376891979160.02373355781261.42484738826-0.138966935059-0.3216809247611.52685774687-0.2888964542661.68943457001-44.001914556125.736026741232.7531420967
71.647595114870.309461165880.653131036531.22620159859-0.6861284010852.320441083040.0456683726064-0.03887364912360.4561025627370.1690601151560.2515087695480.309696505815-0.678206180530.1115697480850.05011847316941.34045984686-0.0400127306490.02109237313411.08052264241-0.1194565011971.2423954067-61.547445339534.1157598731-15.3357597011
81.95315559359-0.1662742179980.2194571645213.34301908456-1.541843534762.7031775985-0.07163142269330.144899144978-0.2719367056670.004560771128240.00793213512004-0.396319604939-0.08169161668380.3443748893460.02343465417011.26359636272-0.06994581678820.08193609363461.25799245289-0.2439485634331.26761103299-54.597429425815.6022692517-10.8872666774
92.95871284548-2.10523295042-0.5331833912492.22311908450.3518615965122.44530497629-0.231561751071-0.0180149688548-0.02989339939820.4197276987650.321325884489-0.5509338397250.1757176663870.6212862097860.05009814013371.25845105381-0.0169966897639-0.1116302105581.20573871296-0.2364759772931.45533082136-45.87722109495.68668624293-4.36250262798
102.26338805188-0.3649135580390.4930138336551.71859145585-0.6165845001462.626918433540.07425471007710.366217877340.2533358272780.118994706668-0.0216822599417-0.394977029875-0.2460698511570.4574917474040.06323128384241.1371683773-0.1426866745640.178136232861.07021547214-0.2150270447491.24125336726-51.072803008339.9294858762-39.3836755766
111.514883712190.497379934982-0.6933820609361.86992212581-0.6365416623011.682844928510.155916275325-0.2047414904770.5614861632120.2937852565660.09323931902230.0171510227198-0.6156845811160.3904459191220.05541361786821.19966325432-0.153416711022-0.000845975363851.05643846466-0.2086444494661.38437407958-45.482441596145.5662701568-28.1170022665
120.87914935199-0.8400555091630.3356463337112.26675627901-0.1377383640961.5491464459-0.00973216510185-0.0126816606667-0.360268951384-0.0375557899578-0.0317563824-0.6647403640690.1238702454190.2576260297780.06367466698141.16764966168-0.04146999540860.1714151617920.98388961774-0.1909705059371.41669832498-45.662814654424.1902799391-44.9405154762
131.24500924333-1.681386387650.6779108599213.04763893403-0.1711155150441.56628636493-0.2493935796060.593990329437-0.0895870500726-0.1967511573820.199739992018-1.30431483697-0.2591110695890.1276217220770.05288777536351.28828966238-0.005186291564120.01458831251471.24095748932-0.1730090354371.4576644184-47.847162922922.2268278435-54.6877013833
141.54607900763-0.353316159161-0.2211272149540.7133476913660.02044678988881.31743566469-0.1169735964230.2829155651710.130583813145-0.3592555549130.124674804488-0.206537269357-0.1920287395340.331289687722-0.005471422873451.3261662035-0.2173921928840.1010053396911.01033344254-0.06896182543150.990311426216-74.719923227967.0853073508-68.9565055636
152.07581612372-0.9760423747650.1190053898574.60929143048-0.02467472397511.93247074857-0.0538548435825-0.2451222910270.306847101066-0.1046614612260.0250504694351-0.481818400853-0.4685147985580.657443769328-0.01960806543271.29903820946-0.243871099855-0.05824930033960.942828853568-0.1952153545481.26818257811-75.162860771780.0473149149-39.0382522795
162.87176566219-0.566460964697-0.7488056788571.82664278047-0.04494206295742.63623168386-0.294065497703-0.400349648848-0.178194964415-0.337729212370.256093811989-0.1733124534570.1925143425710.1380400692770.02020633739750.951923707978-0.0966398201178-0.1048423168971.03238687474-0.1312020183150.988083053715-75.705677065259.6815935985-32.4299025102
171.348774416310.1895057778810.236448923141.46774255037-0.5241140238672.28908107567-0.071604644887-0.1600140958510.3659722916980.009929071736570.008167147501690.139557812033-0.480009996161-0.534992834293-0.07452225846741.057460443840.00587077672126-0.08754128775620.885032701324-0.1816738434511.01931554673-97.044079838377.2574219957-41.6338108163
182.324361881890.241203505821-0.03177822424730.8774489126221.078856382441.9525680139-0.147419553209-0.4831272713330.055271738881-0.03648368063610.1582197929110.058772792776-0.03627577102460.182113252582-0.08167146541411.07427411785-0.025943193632-0.1065980839921.18514491455-0.06421470637751.12743793058-122.64062576653.9710376061-41.8786324666
192.05896406973-0.0901248942977-2.088694068914.021772613591.051822065824.394109445730.2582096906220.761564415330.473942647578-0.6269674469670.08708234879990.381010628925-0.466469567011-0.15930613338-0.04029053504111.201132410790.0081987292404-0.1452779818151.030771222560.003015342072481.12157160717-119.37337820552.5144231442-63.1515828438
202.31187282883-1.05778781003-0.2324629470823.032720903591.436067977522.744447658710.1434170801180.4373205722430.0819395882533-1.00087057950.213525715002-0.102251256169-0.4765245198060.183060201709-0.01700820940481.34309145983-0.0914412342117-0.09524447737091.00491260581-0.01213509394571.06722887834-111.24552755255.7320743994-72.6197695919
211.688465648370.154939040456-0.7697658049812.25008028459-0.3620131973932.96073104092-0.2915846153270.0442884562512-0.2498344989860.1101439750020.09339215833420.1315269053150.120503649372-0.389367348015-0.1012711672960.7400860011710.0389802086495-0.1296491747010.769971188330.02065205086330.88748323508-150.0219049945.7384684495-42.3293962283
222.117468631590.07705682204710.2842517419172.06953329148-0.1921768574061.58238559061-0.344499929569-0.1954838456881.22476262281-0.1497620175780.0911110382052-0.280438578623-0.621549361046-0.423426367937-0.09277916605281.14181545210.133201296594-0.05350362987341.00050869473-0.04553604132751.11620407386-149.64250341859.8467912055-43.7474907944
231.138363556040.0411539361391-0.04550537222022.525634258591.213123267122.0402381097-0.05954492926850.433517598173-0.100713448384-0.1313292864790.01057426302290.1092031800630.327074585790.0944432207954-0.09737111829080.91397387036-0.015382943194-0.1172971550420.930391945761-0.01159489231320.965609190065-148.81568150735.0283610711-58.1889162306
242.85080191441-1.68841593747-0.1108745471361.366127225130.3970616970570.381271635664-0.320229123733-0.375655416175-0.4960874212360.472301099181-0.4417238626651.051459407310.407593447932-0.313965418126-0.1157779735221.415847317150.198055597451-0.1427790346941.13367114963-0.1434087004541.19995267255-150.27191974720.0491398152-66.9240317338
251.808694304920.543163755971-0.9944781516773.186631128850.6927392663084.571989947040.7629078833680.164983318702-0.3030737931990.201770216085-0.5875224584790.259589605929-0.0663332027465-0.744376485272-0.08078184744981.1036212906-0.00956948336565-0.07104768498471.17470206170.03167084674541.05157101955-155.17073894428.6347193881-53.8424932255
261.22001429047-0.08314039733230.1227902764671.683250415730.1178412833242.76771596764-0.0545103229795-0.0686267985644-0.119326858260.04642013824460.08643055688830.87451767158-0.111662760185-0.496070993142-0.09349697449141.165674685520.09938824581820.004493559876821.144467511140.1493265081351.43143706154-172.62346711518.1196596621-5.5719335927
271.326207083730.6543908998610.003501103882761.80491408474-0.00110198173541.42523942467-0.226240947470.1026750253570.5117590316080.09182993421770.2464357927420.378726294209-0.455481546932-0.171808359453-0.05443480066111.354715012750.21187348248-0.0572777131920.8906516321760.1065139465811.15174790909-158.57602663540.779214176-11.6000436842
281.89528106450.1422930218440.6824144613711.60514810877-0.2532567610460.752079077972-0.127998931985-0.6594900260550.1946747570530.7190956421330.06852212259730.0701429691812-0.362307284735-0.0663939121168-0.1095491694951.532646547030.174469974140.04481075817120.867104388567-0.06410051059220.978291709508-146.43535249434.942552776313.9008758658
291.29823667987-0.6546114268780.1150139679082.36846161972-0.3763034156720.857545034522-0.0437483435220.1580936286360.1316304370120.6332519212280.206771039976-0.139865983443-0.3403063360410.120272788944-0.04378036011431.284695411230.00918265458311-0.01479883532820.939941120425-0.05673282718981.04377434634-121.5126154388.1107824892115.5026398391
303.26817147780.257873867461.428903903043.257835228010.3874194353252.84177876108-0.0634847400297-0.168174843574-0.00808333796569-0.022446443279-0.06110524262080.00993346597920.20896836440.098350731577-0.008382237956710.8936645450470.002317681857770.1200187067460.606032829704-0.01393115205040.699231475627-131.5185078332.5639517933910.1042375373
312.11541910335-0.183420024462-0.1367507951684.51591035094-1.299218032312.65434877108-0.106503963221-0.2288083385270.04280755640740.215077879519-0.08092756883940.488276822758-0.294210568043-0.136841323354-0.06408360096040.938459198510.01494381133160.01947073039620.6664630808930.01175920388910.819793123066-149.41407467-3.930556843668.47968753665
323.39549595180.7998284698090.9987239257222.142112869330.4664785360732.889820324-0.4470594188690.3236301513320.272198775042-0.1614502045550.0388331749267-0.3096183437180.136307067930.5094843463620.004176067435411.19022740748-0.0401993968629-0.06578351381390.9805279124250.01950619180891.08096396789-98.4694532231-7.9084123538521.227658864
332.78976977723-0.02720755135120.6687359442752.006198335710.2158316597371.80968556630.0699057913609-0.293327795224-0.5358569404440.4238390450930.0170182115508-0.2216406159770.07319609466260.190858039037-0.01908850432271.143007287220.1001279241520.07715955129370.7424152008730.03993110600390.64221463611-109.635039228-9.9495679773931.8628353236
342.25453374241-0.1585631243350.5608662038062.430589426960.4387019946893.080366834230.639772448017-0.668752661799-0.9237950390871.19565117814-0.6675398836350.9947271480390.233271297729-0.5320107536760.01126531811171.56899192047-0.2099632694780.2758398325081.43317349824-0.05062485410830.803920260461-120.95624153-8.1725626147438.6874068023
351.76781680486-0.2382050446780.162128870371.267147300060.002699911484822.359917308130.66665884675-0.9333385168280.5972015050490.66268611998-0.414095615337-0.175074027858-0.5986485596860.768053302153-0.01099241230131.41503937669-0.159493158233-0.1598242178471.13424750178-0.1735327412250.696350614927-111.576423894-0.5418674413738.1362532575
360.9128109939440.260779299924-0.009642195582812.67936391611.05409647081.130591540020.002069517795040.3551547135440.0253312071143-0.0560570588711-0.4406913049541.727254069090.24791659962-0.477493377503-0.01037869703861.07176241258-0.01780868377460.03413702110050.8037130749329.30728213685E-51.11813388512-117.441605645-20.683810753517.1022974992
372.039727064590.2016664006950.3574440818833.702231387760.2098961668422.01743032925-0.511781684474-1.3441991606-0.517536808985-0.08662830053630.1936008534620.8172835038050.568316575455-0.172424401934-0.05437326433421.31494923768-0.02562906547860.1899954145270.843394658714-0.01773271196290.951486183859-114.000940768-30.998358313325.1285878974
380.9205902186470.6661407677240.3203123927772.161700433571.000759220081.47086141558-0.2592577403510.359590689596-0.595795525602-0.05252715589680.072113743688-0.07953240665460.5150023655890.318213045324-0.05163081994691.16874444625-0.02719014018260.1968496387590.732243489251-0.06516812788871.05617134621-108.41906758-31.246285087914.6250349566
394.016941822160.77063656760.8309664274893.229830296270.9409626385053.217452642560.0885457098335-0.448329269314-0.170621232730.0231084367548-0.173446430778-0.9686040548481.262081457030.423630745724-0.03238201560421.307588802620.02963813486370.06875831646530.988591245810.04340160494591.15279609588-103.146734078-28.281237875820.70457736
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 'D' and (resid 1 through 75 )DA1 - 751 - 75
22chain 'D' and (resid 76 through 307 )DA76 - 30776 - 307
33chain 'D' and (resid 308 through 719 )DA308 - 719308 - 405
44chain 'D' and (resid 720 through 856 )DA720 - 856406 - 542
55chain 'D' and (resid 857 through 1061 )DA857 - 1061543 - 747
66chain 'D' and (resid 1062 through 1140 )DA1062 - 1140748 - 826
77chain 'E' and (resid 715 through 808 )EB715 - 8081 - 94
88chain 'E' and (resid 809 through 901 )EB809 - 90195 - 187
99chain 'E' and (resid 902 through 1043 )EB902 - 1043188 - 329
1010chain 'F' and (resid 20 through 83 )FD20 - 831 - 64
1111chain 'F' and (resid 84 through 150 )FD84 - 15065 - 131
1212chain 'F' and (resid 151 through 218 )FD151 - 218132 - 199
1313chain 'F' and (resid 219 through 267 )FD219 - 267200 - 248
1414chain 'A' and (resid 1 through 365 )AE1 - 3651 - 365
1515chain 'A' and (resid 366 through 719 )AE366 - 719366 - 406
1616chain 'A' and (resid 720 through 819 )AE720 - 819407 - 506
1717chain 'A' and (resid 820 through 1140 )AE820 - 1140507 - 827
1818chain 'B' and (resid 715 through 832 )BF715 - 8321 - 118
1919chain 'B' and (resid 833 through 931 )BF833 - 931119 - 217
2020chain 'B' and (resid 932 through 1039 )BF932 - 1039218 - 325
2121chain 'C' and (resid 20 through 106 )CH20 - 1061 - 87
2222chain 'C' and (resid 107 through 150 )CH107 - 15088 - 131
2323chain 'C' and (resid 151 through 217 )CH151 - 217132 - 198
2424chain 'C' and (resid 218 through 233 )CH218 - 233199 - 214
2525chain 'C' and (resid 234 through 267 )CH234 - 267215 - 248
2626chain 'G' and (resid 1 through 269 )GI1 - 2691 - 269
2727chain 'G' and (resid 270 through 795 )GI270 - 795270 - 481
2828chain 'G' and (resid 796 through 1140 )GI796 - 1140482 - 826
2929chain 'H' and (resid 715 through 794 )HJ715 - 7941 - 80
3030chain 'H' and (resid 795 through 890 )HJ795 - 89081 - 176
3131chain 'H' and (resid 891 through 1044 )HJ891 - 1044177 - 330
3232chain 'I' and (resid 20 through 42 )IL20 - 421 - 23
3333chain 'I' and (resid 43 through 106 )IL43 - 10624 - 87
3434chain 'I' and (resid 107 through 123 )IL107 - 12388 - 104
3535chain 'I' and (resid 124 through 150 )IL124 - 150105 - 131
3636chain 'I' and (resid 151 through 174 )IL151 - 174132 - 155
3737chain 'I' and (resid 175 through 194 )IL175 - 194156 - 175
3838chain 'I' and (resid 195 through 234 )IL195 - 234176 - 215
3939chain 'I' and (resid 235 through 267 )IL235 - 267216 - 248

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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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