PDB Entry (3dt9) |
||
| ||
PDB ID: 3dt9 | Resolution: 1.85 Å | Exp. Method: X-RAY DIFFRACTION |
PMID: 19271773 | DOI: 10.1021/bi8023527 | |
Protein |
|
Protein Name: Platelet-activating factor acetylhydrolase IB subunit alpha1 | |
Uniprot ID/ACC: Q29460 (PA1B3_BOVIN) | Organism: Bos taurus (Bovine) |
Gene Symbol: PAFAH1B3 | Gene ID: 282515 |
Protein Class: HYDROLASE |
Ligand |
||
Ligand Name: Soman | ||
Canonical SMILES: CC(C)(C)[C@H](C)O[P@@](F)(=O)C | ||
Standard InChI: InChI=1S/C7H16FO2P/c1-6(7(2,3)4)10-11(5,8)9/h6H,1-5H3/t6-,11-/m0/s1 | ||
HET Code: GD7 | PubChem: 12442896 | |
DrugBank: - | ChEMBL: - | |
Molecular Formula: C7H16FO2P | Mol. Weight: 182.08719 | logP: 3.23 |
HBD: 0 | HBA: 2 | |
#Rotatable Bonds: 2 | TPSA: 26.3 |
Covalent Mechanism |
Reaction Name | Residue | Chain ID | SASA | pKa | Warhead Name | Warhead Structure |
Phosphorylation | SER 47 | A | 14.09 | - | Phosphonohalogenate |
Binding Affinity |
||
- |