Structure of PDB 6ya5 Chain A Binding Site BS03

Receptor Information

>6ya5 Chain A (length=179) Species: 641809 (Influenza A virus (A/California/07/2009(H1N1)))

GSMEDFVRQCFNPMIVELAEKAMKEYGEDPKIETNKFAAICTHLEVCFMY
SDGGSKHRFEIIEGRDRIMAWTVVNSICNTTGVEKPKFLPDLYDYKENRF
IEIGVTRREVHIYYLEKANKIKSEKTHIHIFSFTGEEMATKADYTLDEES
RARIKTRLFTIRQEMASRSLWDSFRQSER

Ligand information

• Ligand ID: LU2
• InChI: InChI=1S/C15H10O6/c16-8-4-11(19)15-12(20)6-13(21-14(15)5-8)7-1-2-9(17)10(18)3-7/h1-6,16-19H
• InChIKey: IQPNAANSBPBGFQ-UHFFFAOYSA-N
• SMILES:
  CACTVS 3.370: Oc1cc(O)c2C(=O)C=C(Oc2c1)c3ccc(O)c(O)c3
  OpenEye OEToolkits 1.7.6: c1cc(c(cc1C2=CC(=O)c3c(cc(cc3O2)O)O)O)O
  ACDLabs 12.01: O=C1c3c(OC(=C1)c2ccc(O)c(O)c2)cc(O)cc3O
• Formula: C15 H10 O6
• Name: 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4H-chromen-4-one;
  Luteolin
• ChEMBL: CHEMBL151
• DrugBank: DB15584
• ZINC: ZINC000018185774
• PDB chain: 6ya5 Chain A Residue 203

Receptor-Ligand Complex Structure

Structure summary

• PDB: 6ya5 Unraveling the anti-influenza effect of flavonoids: Experimental validation of luteolin and its congeners as potent influenza endonuclease inhibitors.
• Resolution: 2.0 Å
• Binding residue (original residue number in PDB): A20 M21 Y24 E26 I38 H41 E80 D108 E119 K134
• Binding residue (residue number reindexed from 1): A22 M23 Y26 E28 I40 H43 E63 D91 E102 K117
• Annotation score: 1
• Binding affinity: MOAD: ic50=0.072uM

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:6ya5, PDBe:6ya5, PDBj:6ya5
• PDBsum: 6ya5
• PubMed: 32883638
• UniProt: C3W5X6