Structure of PDB 5vp8 Chain A Binding Site BS02

Receptor Information

>5vp8 Chain A (length=179) Species: 641501 (Influenza A virus (A/California/04/2009(H1N1)))

GSHMEDFVRQCFNPMIVELAEKAMKEYGEDPKIETNKFAATCTHLEVCFM
YSDGGSKHRFEIIEGRDRIMAWTVVNSICNTTGVEKPKFLPDLYDYKENR
FIEIGVTRREVHIYYLEKANKIKSEKTHIHIFSFTGEEMATKADYTLDEE
SRARIKTRLFTIRQEMASRSLWDSFRQSE

Ligand information

• Ligand ID: 9HD
• InChI: InChI=1S/C29H43N5O5/c35-25-6-1-13-30(25)18-11-22(32-15-3-8-27(32)37)20-24(34-17-5-10-29(34)39)21-23(33-16-4-9-28(33)38)12-19-31-14-2-7-26(31)36/h3,15,22-24H,1-2,4-14,16-21H2/t22-,23-,24-/m1/s1
• InChIKey: UBULRTDFHFSWCU-WXFUMESZSA-N
• SMILES:
  OpenEye OEToolkits 2.0.6: C1CC(=O)N(C1)CC[C@H](C[C@@H](C[C@@H](CCN2CCCC2=O)N3C=CCC3=O)N4CCCC4=O)N5CCCC5=O
  ACDLabs 12.01: C1=CN(C(C1)=O)C(CC(CC(N2C(CCC2)=O)CCN3C(=O)CCC3)N4C(CCC4)=O)CCN5C(CCC5)=O
  CACTVS 3.385: O=C1CCCN1CC[CH](C[CH](C[CH](CCN2CCCC2=O)N3C=CCC3=O)N4CCCC4=O)N5CCCC5=O
  CACTVS 3.385: O=C1CCCN1CC[C@H](C[C@@H](C[C@@H](CCN2CCCC2=O)N3C=CCC3=O)N4CCCC4=O)N5CCCC5=O
  OpenEye OEToolkits 2.0.6: C1CC(=O)N(C1)CCC(CC(CC(CCN2CCCC2=O)N3C=CCC3=O)N4CCCC4=O)N5CCCC5=O
• Formula: C29 H43 N5 O5
• Name: 1-[(3R,5S,7R)-1,5,7,9-tetrakis(2-oxopyrrolidin-1-yl)nonan-3-yl]-1,3-dihydro-2H-pyrrol-2-one;
  Polyvinylpyrrolidone K15
• PDB chain: 5vp8 Chain A Residue 203

Receptor-Ligand Complex Structure

Structure summary

• PDB: 5vp8 Identification of the I38T PA Substitution as a Resistance Marker for Next-Generation Influenza Virus Endonuclease Inhibitors.
• Resolution: 2.2 Å
• Binding residue (original residue number in PDB): M12 F46 G81
• Binding residue (residue number reindexed from 1): M15 F49 G65
• Annotation score: 1

Enzymatic activity

• Enzyme Commision number: 3.1.-.-

Gene Ontology

Molecular Function

• GO:0003723 RNA binding

Biological Process

• GO:0039694 viral RNA genome replication

External links

• PDB: RCSB:5vp8, PDBe:5vp8, PDBj:5vp8
• PDBsum: 5vp8
• PubMed: 29691337
• UniProt: C3W5S0