Structure of PDB 3hw3 Chain A Binding Site BS02

Receptor Information

>3hw3 Chain A (length=177) Species: 93838 (Influenza A virus (A/goose/Guangdong/1/1996(H5N1)))

PLGSMEDFVRQCFNPMIVELAEKAMKEYGEDPKIETNKFAAICTHLEVCF
MYSRFEIIEGRDRTMAWTVVNSICNTTGVEKPKFLPDLYDYKENRFIEIG
VTRREVHTYYLEKANKIKSEKTHIHIFSFTGEEMATKADYTLDEESRARI
KTRLFTIRQEMASRGLWDSFRQSERGE

Ligand information

• Ligand ID: U5P
• InChI: InChI=1S/C9H13N2O9P/c12-5-1-2-11(9(15)10-5)8-7(14)6(13)4(20-8)3-19-21(16,17)18/h1-2,4,6-8,13-14H,3H2,(H,10,12,15)(H2,16,17,18)/t4-,6-,7-,8-/m1/s1
• InChIKey: DJJCXFVJDGTHFX-XVFCMESISA-N
• SMILES:
  ACDLabs 10.04: O=C1NC(=O)N(C=C1)C2OC(C(O)C2O)COP(=O)(O)O
  CACTVS 3.341: O[CH]1[CH](O)[CH](O[CH]1CO[P](O)(O)=O)N2C=CC(=O)NC2=O
  OpenEye OEToolkits 1.5.0: C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O
  OpenEye OEToolkits 1.5.0: C1=CN(C(=O)NC1=O)C2C(C(C(O2)COP(=O)(O)O)O)O
  CACTVS 3.341: O[C@H]1[C@@H](O)[C@@H](O[C@@H]1CO[P](O)(O)=O)N2C=CC(=O)NC2=O
• Formula: C9 H13 N2 O9 P
• Name: URIDINE-5'-MONOPHOSPHATE
• ChEMBL: CHEMBL214393
• DrugBank: DB03685
• ZINC: ZINC000002123545
• PDB chain: 3hw3 Chain A Residue 257

Receptor-Ligand Complex Structure

Structure summary

• PDB: 3hw3 Nucleoside monophosphate complex structures of the endonuclease domain from the influenza virus polymerase PA subunit reveal the substrate binding site inside the catalytic center
• Resolution: 1.9 Å
• Binding residue (original residue number in PDB): A20 I38 H41 L42 E80 D108 K134
• Binding residue (residue number reindexed from 1): A24 I42 H45 L46 E59 D87 K113
• Annotation score: 4

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:3hw3, PDBe:3hw3, PDBj:3hw3
• PDBsum: 3hw3
• PubMed: 19587036
• UniProt: Q9Q0U9|PA_I96A0 Polymerase acidic protein (Gene Name=PA)