Structure of PDB 8t6z Chain A Binding Site BS03

Receptor Information

>8t6z Chain A (length=177) Species: 641501 (Influenza A virus (A/California/04/2009(H1N1)))

SAMEDFVRQCFNPMIVELAEKAMKEYGEDPKIETNKFAATCTHLEVCFMY
SDFGKHRFEIIEGRDRIMAWTVVNSICNTTGVEKPKFLPDLYDYKENRFI
EIGVTRREVHIYYLEKANKIKSEKTHIHIFSFTGEEMATKADYTLDEESR
ARIKTRLFTIRQEMASRSLWDSFRQSE

Ligand information

• Ligand ID: IJM
• InChI: InChI=1S/C14H8F3N5O4/c15-14(16,17)7-3-5(12-19-21-22-20-12)1-2-6(7)8-4-9(23)11(24)10(18-8)13(25)26/h1-4,24H,(H,18,23)(H,25,26)(H,19,20,21,22)
• InChIKey: CTOQHZRTEVUPLN-UHFFFAOYSA-N
• SMILES:
  OpenEye OEToolkits 2.0.7: c1cc(c(cc1c2[nH]nnn2)C(F)(F)F)C3=CC(=O)C(=C(N3)C(=O)O)O
  CACTVS 3.385: OC(=O)C1=C(O)C(=O)C=C(N1)c2ccc(cc2C(F)(F)F)c3[nH]nnn3
  ACDLabs 12.01: O=C(O)C=1NC(=CC(=O)C=1O)c1ccc(cc1C(F)(F)F)c1nnn[NH]1
• Formula: C14 H8 F3 N5 O4
• Name: (6M)-3-hydroxy-4-oxo-6-[(4M)-4-(1H-tetrazol-5-yl)-2-(trifluoromethyl)phenyl]-1,4-dihydropyridine-2-carboxylic acid
• PDB chain: 8t6z Chain A Residue 303

Receptor-Ligand Complex Structure

Structure summary

• PDB: 8t6z Structural Studies of Inhibitors with Clinically Relevant Influenza Endonuclease Variants.
• Resolution: 1.91 Å
• Binding residue (original residue number in PDB): K34 A37 T38 H41 E80 D108 E119 K134
• Binding residue (residue number reindexed from 1): K36 A39 T40 H43 E62 D90 E101 K116
• 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:8t6z, PDBe:8t6z, PDBj:8t6z
• PDBsum: 8t6z
• PubMed: 38190441
• UniProt: C3W5S0