Structure of PDB 8edz Chain A Binding Site BS01

Receptor Information

>8edz Chain A (length=178) Species: 655278 (Influenza A virus (A/Luxembourg/43/2009(H1N1)))

SHMEDFVRQCFNPMIVELAEKAMKEYGEDPKIETNKFAATCTHLEVCFMY
SDGGSKHRFEIIEGRDRIMAWTVVNSICNTTGVEKPKFLPDLYDYKENRF
IEIGVTRREVHIYYLEKANKIKSEKTHIHIFSFTGEEMATKADYTLDEES
RARIKTRLFTIRQEMASRSLWDSFRQSE

Ligand information

• Ligand ID: WFW
• InChI: InChI=1S/C24H26N8O5/c1-24(2,31-23(36)37-12-14-6-4-3-5-7-14)22-29-16(17(33)21(35)30-22)20(34)26-9-11-32-10-8-15-18(25)27-13-28-19(15)32/h3-8,10,13,33H,9,11-12H2,1-2H3,(H,26,34)(H,31,36)(H2,25,27,28)(H,29,30,35)
• InChIKey: NCRFYYQIIFPHLD-UHFFFAOYSA-N
• SMILES:
  OpenEye OEToolkits 2.0.7: CC(C)(C1=NC(=O)C(=C(N1)C(=O)NCCn2ccc3c2ncnc3N)O)NC(=O)OCc4ccccc4
  CACTVS 3.385: CC(C)(NC(=O)OCc1ccccc1)C2=NC(=O)C(=C(N2)C(=O)NCCn3ccc4c(N)ncnc34)O
  ACDLabs 12.01: O=C(OCc1ccccc1)NC(C)(C)C1=NC(=O)C(O)=C(N1)C(=O)NCCn1ccc2c(N)ncnc21
• Formula: C24 H26 N8 O5
• Name: benzyl [2-(6-{[2-(4-amino-7H-pyrrolo[2,3-d]pyrimidin-7-yl)ethyl]carbamoyl}-5-hydroxy-4-oxo-1,4-dihydropyrimidin-2-yl)propan-2-yl]carbamate
• PDB chain: 8edz Chain A Residue 201

Receptor-Ligand Complex Structure

Structure summary

• PDB: 8edz The crystal structure of I38T mutant PA endonuclease (2009/H1N1/CALIFORNIA) in complex with compound SJ000986319
• Resolution: 2.65 Å
• Binding residue (original residue number in PDB): Y24 E26 H41 D108 E119
• Binding residue (residue number reindexed from 1): Y26 E28 H43 D91 E102
• Annotation score: 1

Gene Ontology

Molecular Function

• GO:0003723 RNA binding

Biological Process

• GO:0039694 viral RNA genome replication

External links

• PDB: RCSB:8edz, PDBe:8edz, PDBj:8edz
• PDBsum: 8edz
• UniProt: C6H0Y9