Structure of PDB 7kop Chain A Binding Site BS03

Receptor Information

>7kop Chain A (length=185) Species: 11320 (Influenza A virus)

SGLVPRGSHMEDFVRQCFNPMIVELAEKAMKEYGEDPKIETNKFAATCTH
LEVCFMYSDGGSKHRFEIIEGRDRIMAWTVVNSICNTTGVEKPKFLPDLY
DYKENRFIEIGVTRREVHIYYLEKANKIKSEKTHIHIFSFTGEEMATKAD
YTLDEESRARIKTRLFTIRQEMASRSLWDSFRQSE

Ligand information

• Ligand ID: WTM
• InChI: InChI=1S/C19H17FN4O4/c1-28-14-10-11(6-8-21-14)7-9-22-18(26)15-16(25)19(27)24-17(23-15)12-4-2-3-5-13(12)20/h2-6,8,10,25H,7,9H2,1H3,(H,22,26)(H,23,24,27)
• InChIKey: UVUDZFBAAXHOBN-UHFFFAOYSA-N
• SMILES:
  CACTVS 3.385: COc1cc(CCNC(=O)C2=C(O)C(=O)NC(=N2)c3ccccc3F)ccn1
  ACDLabs 12.01: C=1(NC(=O)C(=C(N=1)C(=O)NCCc2cc(OC)ncc2)O)c3ccccc3F
  OpenEye OEToolkits 2.0.7: COc1cc(ccn1)CCNC(=O)C2=C(C(=O)NC(=N2)c3ccccc3F)O
• Formula: C19 H17 F N4 O4
• Name: 2-(2-fluorophenyl)-5-hydroxy-N-[2-(2-methoxypyridin-4-yl)ethyl]-6-oxo-1,6-dihydropyrimidine-4-carboxamide
• PDB chain: 7kop Chain A Residue 203

Receptor-Ligand Complex Structure

Structure summary

• PDB: 7kop Chemical scaffold recycling: Structure-guided conversion of an HIV integrase inhibitor into a potent influenza virus RNA-dependent RNA polymerase inhibitor designed to minimize resistance potential.
• Resolution: 2.33 Å
• Binding residue (original residue number in PDB): Y24 E26 K34 H41 E119
• Binding residue (residue number reindexed from 1): Y33 E35 K43 H50 E109
• Annotation score: 1

Gene Ontology

Molecular Function

• GO:0003723 RNA binding

Biological Process

• GO:0039694 viral RNA genome replication

External links

• PDB: RCSB:7kop, PDBe:7kop, PDBj:7kop
• PDBsum: 7kop
• UniProt: C6H0Y9