Structure of PDB 3bsn Chain A Binding Site BS06

Receptor Information
>3bsn Chain A (length=479) Species: 11983 (Norwalk virus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
KGTYCGAPILGPGSAPKLSTKTKFWRSSTAPLPPGTYEPAYLGGKDPRVK
GGPSLQQVMRDQLKPFTEPRGKPPKPSVLEAAKKTIINVLEQTIDPPDKW
SFAQACASLDKTTSSGHPHHMRKNDCWNGESFTGKLADQASKANLMFEEG
KNMTPVYTGALKDELVKTDKIYGKIKKRLLWGSDLATMIRCARAFGGLMD
ELKTHCVTLPIRVGMNMNEDGPIIFERHSRYRYHYDADYSRWDSTQQRAV
LAAALEIMVKFSSEPHLAQVVAEDLLSPSVVDVGDFTISINEGLPSGVPC
TSQWNSIAHWLLTLCALSEVTNLSPDIIQANSLFSFYGDDEIVSTDIKLD
PEKLTAKLKEYGLKPTRPDKTEGPLVISEDLNGLTFLRRTVTRDPAGWFG
KLEQSSILRQMYWTRGPNHEDPSETMIPHSQRPIQLMSLLGEAALHGPAF
YSKISKLVIAELDFYVPRQEPMFRWMRFS
Ligand information
Ligand IDN5C
InChIInChI=1S/C9H15N4O16P3/c10-7-3(13(17)18)1-12(9(16)11-7)8-6(15)5(14)4(27-8)2-26-31(22,23)29-32(24,25)28-30(19,20)21/h1,4-6,8,14-15H,2H2,(H,22,23)(H,24,25)(H2,10,11,16)(H2,19,20,21)/t4-,5-,6-,8-/m1/s1
InChIKeyFDSJHYVWUMETJX-UAKXSSHOSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04O=P(O)(O)OP(=O)(O)OP(=O)(O)OCC2OC(N1C(=O)N=C(N)C([N+]([O-])=O)=C1)C(O)C2O
CACTVS 3.341NC1=NC(=O)N(C=C1[N+]([O-])=O)[C@@H]2O[C@H](CO[P@](O)(=O)O[P@@](O)(=O)O[P](O)(O)=O)[C@@H](O)[C@H]2O
OpenEye OEToolkits 1.5.0C1=C(C(=NC(=O)N1[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N)[N+](=O)[O-]
CACTVS 3.341NC1=NC(=O)N(C=C1[N+]([O-])=O)[CH]2O[CH](CO[P](O)(=O)O[P](O)(=O)O[P](O)(O)=O)[CH](O)[CH]2O
OpenEye OEToolkits 1.5.0C1=C(C(=NC(=O)N1C2C(C(C(O2)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)O)N)[N+](=O)[O-]
FormulaC9 H15 N4 O16 P3
Name5-nitrocytidine 5'-(tetrahydrogen triphosphate)
ChEMBLCHEMBL609725
DrugBank
ZINCZINC000044220689
PDB chain3bsn Chain A Residue 514 [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]
PDB3bsn Structural insights into mechanisms of catalysis and inhibition in norwalk virus polymerase.
Resolution1.8 Å
Binding residue
(original residue number in PDB)		R182 D242 Y243 R245 W246 D247 S300 D343
Binding residue
(residue number reindexed from 1)		R178 D238 Y239 R241 W242 D243 S296 D339
Annotation score1
Enzymatic activity
Enzyme Commision number 3.4.22.66: calicivirin.
Gene Ontology
Molecular Function
GO:0003723 RNA binding
GO:0003968 RNA-dependent RNA polymerase activity
GO:0004386 helicase activity
GO:0005524 ATP binding
Biological Process
GO:0006351 DNA-templated transcription
GO:0039694 viral RNA genome replication

View graph for
Molecular Function
View graph for
Biological Process
External links
PDB RCSB:3bsn, PDBe:3bsn, PDBj:3bsn
PDBsum3bsn
PubMed18184655
UniProtQ70ET3

[Back to BioLiP]