Structure of PDB 7n55 Chain A Binding Site BS04

Receptor Information

>7n55 Chain A (length=180) Species: 641501 (Influenza A virus (A/California/04/2009(H1N1)))

RGSHMEDFVRQCFNPMIVELAEKAMKEYGEDPKIETNKFAATCTHLEVCF
MYSDGGSKHRFEIIEGRDRIMAWTVVNSICNTTGVEKPKFLPDLYDYKEN
RFIEIGVTRREVHIYYLEKANKIKSEKTHIHIFSFTGEEMATKADYTLDE
ESRARIKTRLFTIRQEMASRSLWDSFRQSE

Ligand information

• Ligand ID: 09Y
• InChI: InChI=1S/C20H20N4O4/c1-12-5-3-4-6-14(12)18-23-16(17(25)20(27)24-18)19(26)22-10-8-13-7-9-21-15(11-13)28-2/h3-7,9,11,25H,8,10H2,1-2H3,(H,22,26)(H,23,24,27)
• InChIKey: NCYTYISCUURTPV-UHFFFAOYSA-N
• SMILES:
  OpenEye OEToolkits 2.0.7: Cc1ccccc1C2=NC(=C(C(=O)N2)O)C(=O)NCCc3ccnc(c3)OC
  CACTVS 3.385: COc1cc(CCNC(=O)C2=C(O)C(=O)NC(=N2)c3ccccc3C)ccn1
  ACDLabs 12.01: OC1=C(N=C(NC1=O)c1ccccc1C)C(=O)NCCc1ccnc(OC)c1
• Formula: C20 H20 N4 O4
• Name: 5-hydroxy-N-[2-(2-methoxypyridin-4-yl)ethyl]-2-(2-methylphenyl)-6-oxo-1,6-dihydropyrimidine-4-carboxamide
• PDB chain: 7n55 Chain A Residue 207

Receptor-Ligand Complex Structure

Structure summary

• PDB: 7n55 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 K34 H41 E80 D108 E119 Y130
• Binding residue (residue number reindexed from 1): Y28 K38 H45 E65 D93 E104 Y115
• 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:7n55, PDBe:7n55, PDBj:7n55
• PDBsum: 7n55
• PubMed: 36603507
• UniProt: C3W5S0