Structure of PDB 3jb7 Chain A Binding Site BS06

Receptor Information
>3jb7 Chain A (length=1198) Species: 110829 (Bombyx mori cypovirus 1) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
TKLHNTIFSETRKFTRESFKEIEHLTARLANDRVARHDFLFNTSIVLISD
YSGEDSNGNQLQATITIPNEIINPKEYDPSDYPLAEDESFFKQGHKYDYL
VTFRAGSLTNTYEPKTKMYKLHAALDKLMHVKQRKSRFADLWRELCAVIA
SLDVWYQTTNYPLRTYVKLLFHKGDEFPFYESPSQDRIIFNDKSVASILP
TFVYTCCQVGTAIMSGILTHVESIVAMNHFLHCAKDSYIDEKLKIKGIGR
SWYQEALHNVCQATVPVWSQFNEVIGHRTKSTSEPHFVSSTFISLRAKRA
ELLYPEFNAYINRAIQLSKTQNDVANYYAACRAMTNDGTFLATLTELSLD
AAVFPRIEQHLVTRPAVLMSNTRHESLKQKYTNGVGSIAQSYLSSFTDEI
AKRVNGRHHDEAWLNFLTTSSPGRKLTEIEKLEVGGDVAAWSNSRIVMQA
VFAREYRTPERIFKSLKAPIKLVERQQSDRRQRAISGLDNDRLFLSFMPY
TIGKQIYELNDNAAQGKQAGNAFDIGEMLYWTSQRNVLLSSIDVAGMDAS
VTTNTKDIYNTFVLDVASKCTVPRFGPYYAKNMEVFEAGNRQSQVRYVNA
AWQACALEAANSQTSTSYESEIFGQVKNAEGTYPSGRADTSTHHTVLLQG
LVRGNELKRASDGKNSCLATIKILGDDIMEIFQGSESDTYDHAVSNASIL
NESGFATTAELSQNSIVLLQQLVVNGTFWGFADRISLWTREDTKDIGRLN
LAMMELNALIDDLVFRVRRPEGLKMLGFFCGAICLRRFTLSVDNKLYDST
YNNLSKYMTLTKYDKNPDSDSTLMSLILPLAWLFMPRGGEYPAYPFERRD
GTFTEDESMFTARGAYKRRLLYDVSNIGEMIQQNSMALDDDLLHEYGFTG
ALLLIDLNILDLIDEVKKEDISPVKVSELATSLEQLGKLGEREKSRRAAS
DLKIRGHALSNDIVYGYGLQEKIQKSAMATKETTVQSKRVSSRLHDVIVA
KRDYKISTIPADALHLHEFEVEDVTVDLLPHAKHTSYSSLAYNMSFGSDG
WFAFALLGGLDRSANLLRLDVASIRGPVFKQGYKIYKSDATLLNDFFTAI
SAGPKEQGILLRAFAYYSLYGNVEYHYVLSPRQLFFLSDNPVSAERLVRI
PPKYYVSTQCRALYNIFSYLHILRSIANNRGKRLKMVLHPGLIAYVRG
Ligand information
Ligand IDCTP
InChIInChI=1S/C9H16N3O14P3/c10-5-1-2-12(9(15)11-5)8-7(14)6(13)4(24-8)3-23-28(19,20)26-29(21,22)25-27(16,17)18/h1-2,4,6-8,13-14H,3H2,(H,19,20)(H,21,22)(H2,10,11,15)(H2,16,17,18)/t4-,6-,7-,8-/m1/s1
InChIKeyPCDQPRRSZKQHHS-XVFCMESISA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0C1=CN(C(=O)N=C1N)C2C(C(C(O2)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)O
OpenEye OEToolkits 1.5.0C1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O
CACTVS 3.341NC1=NC(=O)N(C=C1)[CH]2O[CH](CO[P](O)(=O)O[P](O)(=O)O[P](O)(O)=O)[CH](O)[CH]2O
ACDLabs 10.04O=P(O)(O)OP(=O)(O)OP(=O)(O)OCC2OC(N1C(=O)N=C(N)C=C1)C(O)C2O
CACTVS 3.341NC1=NC(=O)N(C=C1)[C@@H]2O[C@H](CO[P@@](O)(=O)O[P@@](O)(=O)O[P](O)(O)=O)[C@@H](O)[C@H]2O
FormulaC9 H16 N3 O14 P3
NameCYTIDINE-5'-TRIPHOSPHATE
ChEMBLCHEMBL223533
DrugBankDB02431
ZINCZINC000003861746
PDB chain3jb7 Chain A Residue 1302 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB3jb7 In situ structures of the segmented genome and RNA polymerase complex inside a dsRNA virus.
Resolution4.0 Å
Binding residue
(original residue number in PDB)		R479 R487 I489 V548 G550 S639 T644 H648 D680
Binding residue
(residue number reindexed from 1)		R475 R483 I485 V544 G546 S635 T640 H644 D676
Annotation score1
Enzymatic activity
Enzyme Commision number 2.7.7.48: RNA-directed RNA polymerase.
Gene Ontology
Molecular Function
GO:0003723 RNA binding
GO:0003968 RNA-dependent RNA polymerase activity
Biological Process
GO:0001172 RNA-templated transcription
GO:0019079 viral genome replication

View graph for
Molecular Function
View graph for
Biological Process
External links
PDB RCSB:3jb7, PDBe:3jb7, PDBj:3jb7
PDBsum3jb7
PubMed26503045
UniProtD0EZK6

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