Structure of PDB 6o6b Chain A Binding Site BS01

Receptor Information
>6o6b Chain A (length=828) 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
IGTNVENSVSGHVYNALIYYRYNYSFDLKRWIYLHSVEKYYEHAPIELIY
ACKSAKEFASLQDDLTVLRYANEIENYINKVYSITYADDPNYFIGIKFNN
IPYIYDVKVPHLTFGVLYISDNMIPDVVKIMKSMKQELFGMDVTTSYTYM
LSDGVYVANVSGVLATYFKMYNLFYKNQITFGQSRMFIPHITLSFSNNKT
VRIETTKLRIKSIYLRKIRGDTVFDMPE
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 chain6o6b Chain A Residue 901 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
PDB6o6b A sub-atomic resolution cryo-EM of full-length Rotavirus A-VP3 (RVA-VP3)
Resolution2.7 Å
Binding residue
(original residue number in PDB)		H574 R577 H612 H650
Binding residue
(residue number reindexed from 1)		H574 R577 H612 H643
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

View graph for
Molecular Function
View graph for
Biological Process
View graph for
Cellular Component
External links
PDB RCSB:6o6b, PDBe:6o6b, PDBj:6o6b
PDBsum6o6b
PubMed
UniProtQ1WK45

[Back to BioLiP]