PDB Entry (2tgd) |
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PDB ID: 2tgd | Resolution: 2.1 Å | Exp. Method: X-RAY DIFFRACTION |
PMID: - | DOI: - | |
Protein |
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Protein Name: Cationic trypsin | |
Uniprot ID/ACC: P00760 (TRY1_BOVIN) | Organism: Bos taurus (Bovine) |
Gene Symbol: - | Gene ID: 615026 |
Protein Class: HYDROLASE |
Ligand |
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Ligand Name: DIISOPROPYL PHOSPHATE | ||
Canonical SMILES: CC(C)OP(O)(=O)OC(C)C | ||
Standard InChI: InChI=1S/C6H15O4P/c1-5(2)9-11(7,8)10-6(3)4/h5-6H,1-4H3,(H,7,8) | ||
HET Code: DFP | PubChem: 74162 | |
DrugBank: - | ChEMBL: - | |
Molecular Formula: C6H15O4P | Mol. Weight: 182.0708 | logP: 1.9368 |
HBD: 1 | HBA: 3 | |
#Rotatable Bonds: 4 | TPSA: 55.76 |
Covalent Mechanism |
Reaction Name | Residue | Chain ID | SASA | pKa | Warhead Name | Warhead Structure |
Phosphorylation | SER 195 | A | 38.38 | - | Phosphate |
Binding Affinity |
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