PDB Entry (1tpp)
PDB ID: 1tpp Resolution: 1.4 Å Exp. Method: X-RAY DIFFRACTION
PMID: - DOI: -
Protein
Protein Name: Cationic trypsin
Uniprot ID/ACC: P00760 (TRY1_BOVIN) Organism: Bos taurus (Bovine)
Gene Symbol: - Gene ID: 615026
Protein Class: HYDROLASE
Ligand
Ligand Name:   p-Amidinophenylpyruvate
Canonical SMILES:   NC(=N)c1ccc(CC(=O)C(O)=O)cc1
Standard InChI:   InChI=1S/C10H10N2O3/c11-9(12)7-3-1-6(2-4-7)5-8(13)10(14)15/h1-4H,5H2,(H3,11,12)(H,14,15)
HET Code:   APA PubChem:   2138
DrugBank:   DB02018 ChEMBL:   CHEMBL1231012
Molecular Formula:   C10H10N2O3 Mol. Weight:   206.06914 logP:   0.16687
HBD:   3 HBA:   3
#Rotatable Bonds:   4 TPSA:   104.24
Covalent Mechanism
Reaction Name Residue Chain ID SASA pKa Warhead Name Warhead Structure
Hemi(thio)acetalization SER 195 A 18.01 - Ketone
Binding Affinity
-