Structure of PDB 6o3v Chain C Binding Site BS01

Receptor Information
>6o3v Chain C (length=830) Species: 28875 (Rotavirus A) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MKVLALRHSVAQVYADTQIYTHDDTKDSYENAFLISNLTTHNILYFNYSA
RTLEILNKSGIAAIEIQSLEELFTLIRCNFTYDYENNVVYLHDYSYYTNN
EIRTDQHWITKTNIEEYLLPGWKLTYVGYNGNDTRGHYNFSFTCQNAATD
DDIIIEYIYSEALDFQNFMLRKIKERMTTSLPIARLSNRVFRDKLFPLLV
KKHKRVVNVGPRNESMFTFLNFPSIRQFSNGPYLVKNTIKLKQERWLGKR
VSQFDIGQYKNMLNVITTIYHYYNLYQEKPIIYMVGSAPSYWIYDVRQYS
DFLFETWDPLDTPYSSIHHKELFFAKDIGKLKDNSILYIDIRTDRGNADW
KEWRKVVELQTISNLNLAYQYLATGKSKVCCVKLTAMDLELPVSAKLLHH
PTTEIRSEFYLLLDIWDVNNIKRFIPKGALYSFINNVITDNVFIQSPFKI
RTSVSDYIVALYALSNDFNNREDIINLINNQKQSLITVRINNTFKDEPKV
GFKSIYDWTFLPTDFETTNAIVTSYDGCLGIFGLSISLASKPTGNNHLFI
LNGTDKYYKLDQFANHTGISRRSHQVRFSESATSYSGYIFRDLSNSNFNL
IGTNVENSVSGHVYNALIYYRYNYSFDLKRWIYLHSVEKGKYYEHAPIEL
IYACKSAKEFASLQDDLTVLRYANEIENYINKVYSITYADDPNYFIGIKF
NNIPYIYDVKVPHLTFGVLYISDNMIPDVVKIMKSMKQELFGMDVTTSYT
YMLSDGVYVANVSGVLATYFKMYNLFYKNQITFGQSRMFIPHITLSFSNN
KTVRIETTKLRIKSIYLRKIRGDTVFDMPE
Ligand information
Ligand ID5GP
InChIInChI=1S/C10H14N5O8P/c11-10-13-7-4(8(18)14-10)12-2-15(7)9-6(17)5(16)3(23-9)1-22-24(19,20)21/h2-3,5-6,9,16-17H,1H2,(H2,19,20,21)(H3,11,13,14,18)/t3-,5-,6-,9-/m1/s1
InChIKeyRQFCJASXJCIDSX-UUOKFMHZSA-N
SMILES
SoftwareSMILES
CACTVS 3.341NC1=Nc2n(cnc2C(=O)N1)[C@@H]3O[C@H](CO[P](O)(O)=O)[C@@H](O)[C@H]3O
CACTVS 3.341NC1=Nc2n(cnc2C(=O)N1)[CH]3O[CH](CO[P](O)(O)=O)[CH](O)[CH]3O
ACDLabs 10.04O=C1c2ncn(c2N=C(N)N1)C3OC(C(O)C3O)COP(=O)(O)O
OpenEye OEToolkits 1.5.0c1nc2c(n1C3C(C(C(O3)COP(=O)(O)O)O)O)N=C(NC2=O)N
OpenEye OEToolkits 1.5.0c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N=C(NC2=O)N
FormulaC10 H14 N5 O8 P
NameGUANOSINE-5'-MONOPHOSPHATE
ChEMBLCHEMBL283807
DrugBankDB01972
ZINCZINC000002159505
PDB chain6o3v Chain C Residue 901 [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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PDB6o3v 2.7 angstrom cryo-EM structure of rotavirus core protein VP3, a unique capping machine with a helicase activity.
Resolution3.5 Å
Binding residue
(original residue number in PDB)		S573 H574 R577 Y588 G611 H612 N615
Binding residue
(residue number reindexed from 1)		S573 H574 R577 Y588 G611 H612 N615
Annotation score3
Enzymatic activity
Enzyme Commision number 2.1.1.56: mRNA (guanine-N(7))-methyltransferase.
2.7.7.50: mRNA guanylyltransferase.
3.1.4.-
Gene Ontology
Molecular Function
GO:0003723 RNA binding
GO:0004482 mRNA 5'-cap (guanine-N7-)-methyltransferase activity
GO:0004484 mRNA guanylyltransferase activity
GO:0005525 GTP binding
GO:0008168 methyltransferase activity
GO:0016779 nucleotidyltransferase activity
GO:0016787 hydrolase activity
Biological Process
GO:0006370 7-methylguanosine mRNA capping
GO:0016032 viral process
GO:0019049 virus-mediated perturbation of host defense response
GO:0032259 methylation
GO:0052170 symbiont-mediated suppression of host innate immune response
GO:0106005 RNA 5'-cap (guanine-N7)-methylation
Cellular Component
GO:0019013 viral nucleocapsid
GO:0044423 virion component

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Molecular Function
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Biological Process
View graph for
Cellular Component
External links
PDB RCSB:6o3v, PDBe:6o3v, PDBj:6o3v
PDBsum6o3v
PubMed32494598
UniProtQ1WK45

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