Structure of PDB 4awh Chain B Binding Site BS03

Receptor Information

>4awh Chain B (length=183) Species: 641501 (Influenza A virus (A/California/04/2009(H1N1)))

MAMEDFVRQCFNPMIVELAEKAMKEYGEDPKIETNKFAAICTHLEVCFMY
SDFHFIDESIIKHRFEIIEGRDRIMAWTVVNSICNTTGVEKPKFLPDLYD
YKENRFIEIGVTRREVHIYYLEKANKIEKTHIHIFSFTGEEMATKADYTL
DEESRARIKTRLFTIRQEMASRSLWDSFRQSER

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: 4awh Chain B Residue 910

Receptor-Ligand Complex Structure

Structure summary

• PDB: 4awh Structural Analysis of Specific Metal Chelating Inhibitor Binding to the Endonuclease Domain of Influenza Ph1N1 (2009) Polymerase.
• Resolution: 2.05 Å
• Binding residue (original residue number in PDB): Y24 E26 K34 I38 H41 D108 E119 K134
• Binding residue (residue number reindexed from 1): Y26 E28 K36 I40 H43 D97 E108 K123
• 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:4awh, PDBe:4awh, PDBj:4awh
• PDBsum: 4awh
• PubMed: 22876177
• UniProt: C3W5S0