Structure of PDB 6k32 Chain A Binding Site BS05

Receptor Information
>6k32 Chain A (length=1208) Species: 205895 (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
KTRDYKISTIPADALHLHEFEVEDVTVDLLPHAKHTSYSSLAYNMSFGSD
GWFAFALLGGLDRSANLLRLDVASIRGNYHKFSYDDPVFKQGYKIYKSDA
TLLNDFFTAISAGPKEQGILLRAFAYYSLYGNVEYHYVLSPRQLFFLSDN
PVSAERLVRIPPKYYVSTQCRALYNIFSYLHILRSIANNRGKRLKMVLHP
GLIAYVRG
Ligand information
Ligand IDA2M
InChIInChI=1S/C11H16N5O7P/c1-21-8-7(17)5(2-22-24(18,19)20)23-11(8)16-4-15-6-9(12)13-3-14-10(6)16/h3-5,7-8,11,17H,2H2,1H3,(H2,12,13,14)(H2,18,19,20)/t5-,7-,8-,11-/m1/s1
InChIKeyTVGFEBXIZUYVFR-IOSLPCCCSA-N
SMILES
SoftwareSMILES
CACTVS 3.370CO[CH]1[CH](O)[CH](CO[P](O)(O)=O)O[CH]1n2cnc3c(N)ncnc23
ACDLabs 12.01O=P(O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(OC)C3O
CACTVS 3.370CO[C@@H]1[C@H](O)[C@@H](CO[P](O)(O)=O)O[C@H]1n2cnc3c(N)ncnc23
OpenEye OEToolkits 1.7.0COC1C(C(OC1n2cnc3c2ncnc3N)COP(=O)(O)O)O
OpenEye OEToolkits 1.7.0CO[C@@H]1[C@@H]([C@H](O[C@H]1n2cnc3c2ncnc3N)COP(=O)(O)O)O
FormulaC11 H16 N5 O7 P
Name2'-O-methyladenosine 5'-(dihydrogen phosphate)
ChEMBLCHEMBL1229561
DrugBank
ZINC
PDB chain6k32 Chain A Residue 1304 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB6k32 Structure of RdRps Within a Transcribing dsRNA Virus Provides Insights Into the Mechanisms of RNA Synthesis.
Resolution3.2 Å
Binding residue
(original residue number in PDB)		T793 S795
Binding residue
(residue number reindexed from 1)		T789 S791
Annotation score1
Enzymatic activity
Enzyme Commision number ?
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:6k32, PDBe:6k32, PDBj:6k32
PDBsum6k32
PubMed31629769
UniProtD0EZK6

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