PDB Entry (1lpm) |
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PDB ID: 1lpm | Resolution: 2.18 Å | Exp. Method: X-RAY DIFFRACTION |
PMID: - | DOI: - | |
Protein |
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Protein Name: Lipase 1 | |
Uniprot ID/ACC: P20261 (LIP1_DIURU) | Organism: Diutina rugosa (Yeast) (Candida rugosa) |
Gene Symbol: LIP1 | Gene ID: - |
Protein Class: HYDROLASE |
Ligand |
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Ligand Name: (1R,2S,5R)‐2‐isopropyl‐5‐methylcyclohexylhexylphosphonochloridate | ||
Canonical SMILES: CCCCCC[P@@](Cl)(=O)O[C@@H]1C[C@H](C)CC[C@H]1C(C)C | ||
Standard InChI: InChI=1S/C16H32ClO2P/c1-5-6-7-8-11-20(17,18)19-16-12-14(4)9-10-15(16)13(2)3/h13-16H,5-12H2,1-4H3/t14-,15+,16-,20-/m1/s1 | ||
HET Code: MPA | PubChem: - | |
DrugBank: - | ChEMBL: - | |
Molecular Formula: C16H32ClO2P | Mol. Weight: 322.18283 | logP: 6.476 |
HBD: 0 | HBA: 2 | |
#Rotatable Bonds: 8 | TPSA: 26.3 |
Covalent Mechanism |
Reaction Name | Residue | Chain ID | SASA | pKa | Warhead Name | Warhead Structure |
Phosphorylation | SER 209 | A | 15.56 | - | Phosphonohalogenate |
Binding Affinity |
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