Structure of PDB 7kny Chain A Binding Site BS03

Receptor Information

>7kny Chain A (length=179) Species: 11320 (Influenza A virus)

GSHMEDFVRQCFNPMIVELAEKAMKEYGEDPKIETNKFAATCTHLEVCFM
YSDGGSKHRFEIIEGRDRIMAWTVVNSICNTTGVEKPKFLPDLYDYKENR
FIEIGVTRREVHIYYLEKANKIKSEKTHIHIFSFTGEEMATKADYTLDEE
SRARIKTRLFTIRQEMASRSLWDSFRQSE

Ligand information

• Ligand ID: WTG
• InChI: InChI=1S/C20H18FN3O5/c1-29-15-10-11(6-7-14(15)25)8-9-22-19(27)16-17(26)20(28)24-18(23-16)12-4-2-3-5-13(12)21/h2-7,10,25-26H,8-9H2,1H3,(H,22,27)(H,23,24,28)
• InChIKey: HSBCFDIQFPZSGO-UHFFFAOYSA-N
• SMILES:
  OpenEye OEToolkits 2.0.7: COc1cc(ccc1O)CCNC(=O)C2=C(C(=O)N=C(N2)c3ccccc3F)O
  CACTVS 3.385: COc1cc(CCNC(=O)C2=C(O)C(=O)N=C(N2)c3ccccc3F)ccc1O
  ACDLabs 12.01: c3c(c(OC)cc(CCNC(=O)C2=C(O)C(=O)N=C(c1c(cccc1)F)N2)c3)O
• Formula: C20 H18 F N3 O5
• Name: 2-(2-fluorophenyl)-5-hydroxy-N-[2-(4-hydroxy-3-methoxyphenyl)ethyl]-6-oxo-3,6-dihydropyrimidine-4-carboxamide
• PDB chain: 7kny Chain A Residue 203

Receptor-Ligand Complex Structure

Structure summary

• PDB: 7kny 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: 2.48 Å
• Binding residue (original residue number in PDB): Y24 K34 A37 H41 D108 E119
• Binding residue (residue number reindexed from 1): Y27 K37 A40 H44 D92 E103
• Annotation score: 1

Gene Ontology

Molecular Function

• GO:0003723 RNA binding

Biological Process

• GO:0039694 viral RNA genome replication

External links

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