PDB Entry (3f98) |
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PDB ID: 3f98 | Resolution: 1.7 Å | Exp. Method: X-RAY DIFFRACTION |
PMID: 19394314 | DOI: 10.1016/j.bcp.2009.04.018 | |
Protein |
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Protein Name: Platelet-activating factor acetylhydrolase | |
Uniprot ID/ACC: Q13093 (PAFA_HUMAN) | Organism: Homo sapiens (Human) |
Gene Symbol: PLA2G7 | Gene ID: 7941 |
Protein Class: HYDROLASE |
Ligand |
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Ligand Name: Tabun | ||
Canonical SMILES: CCO[P@@](=O)(C#N)N(C)C | ||
Standard InChI: InChI=1S/C5H11N2O2P/c1-4-9-10(8,5-6)7(2)3/h4H2,1-3H3/t10-/m0/s1 | ||
HET Code: NTJ | PubChem: 12443193 | |
DrugBank: - | ChEMBL: CHEMBL1097650 | |
Molecular Formula: C5H11N2O2P | Mol. Weight: 162.05582 | logP: 1.25868 |
HBD: 0 | HBA: 3 | |
#Rotatable Bonds: 3 | TPSA: 53.33 |
Covalent Mechanism |
Reaction Name | Residue | Chain ID | SASA | pKa | Warhead Name | Warhead Structure |
Phosphorylation | SER 273 | A | 14.62 | - | Phosphoramidocyanidate |
Binding Affinity |
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