Structure of PDB 7uuh Chain A Binding Site BS04

Receptor Information

>7uuh Chain A (length=181) Species: 655278 (Influenza A virus (A/Luxembourg/43/2009(H1N1)))

PRGSHMEDFVRQCFNPMIVELAEKAMKEYGEDPKIETNKFAAICTHLEVC
FMYSDGGSKHRFEIIEGRDRIMAWTVVNSICNTTGVEKPKFLPDLYDYKE
NRFIEIGVTRREVHIYYLEKANKIKSEKTHIHIFSFTGEEMATKADYTLD
EESRARIKTRLFTIRQEMASRSLWDSFRQSE

Ligand information

• Ligand ID: NVR
• InChI: InChI=1S/C23H21N3O5/c27-20-19-22(28)24-10-9-15-5-3-7-17(13-15)30-11-1-2-12-31-18-8-4-6-16(14-18)21(25-19)26-23(20)29/h1-8,13-14,27H,9-12H2,(H,24,28)(H,25,26,29)/b2-1-
• InChIKey: BGEWHIHKXORALY-UPHRSURJSA-N
• SMILES:
  ACDLabs 12.01: O=C1NCCc2cc(ccc2)OCC=CCOc2cccc(c2)C2=NC1=C(O)C(=O)N2
  CACTVS 3.385: OC1=C2N=C(NC1=O)c3cccc(OC\C=C/COc4cccc(CCNC2=O)c4)c3
  OpenEye OEToolkits 2.0.7: c1cc2cc(c1)OCC=CCOc3cccc(c3)C4=NC(=C(C(=O)N4)O)C(=O)NCC2
  CACTVS 3.385: OC1=C2N=C(NC1=O)c3cccc(OCC=CCOc4cccc(CCNC2=O)c4)c3
  OpenEye OEToolkits 2.0.7: c1cc2cc(c1)OC/C=C\COc3cccc(c3)C4=NC(=C(C(=O)N4)O)C(=O)NCC2
• Formula: C23 H21 N3 O5
• Name: (1P,18Z)-5-hydroxy-16,21-dioxa-3,8,28-triazatetracyclo[20.3.1.1~2,6~.1~11,15~]octacosa-1(26),2(28),5,11(27),12,14,18,22,24-nonaene-4,7-dione;
  SJ001034732-1 (Cis-form)
• PDB chain: 7uuh Chain A Residue 204

Receptor-Ligand Complex Structure

Structure summary

• PDB: 7uuh 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: 2.89 Å
• Binding residue (original residue number in PDB): M21 Y24 K34 H41 E80 D108 Y130
• Binding residue (residue number reindexed from 1): M26 Y29 K39 H46 E66 D94 Y116
• Annotation score: 1

Gene Ontology

Molecular Function

• GO:0003723 RNA binding

Biological Process

• GO:0039694 viral RNA genome replication

External links

• PDB: RCSB:7uuh, PDBe:7uuh, PDBj:7uuh
• PDBsum: 7uuh
• PubMed: 36603507
• UniProt: C6H0Y9