PDB Entry (1jsl)
PDB ID: 1jsl Resolution: 1.7 Å Exp. Method: X-RAY DIFFRACTION
PMID: 11755201 DOI: 10.1016/S0167-4838(01)00270-9
Protein
Protein Name: L-asparaginase
Uniprot ID/ACC: P06608 (ASPG_DICCH) Organism: Dickeya chrysanthemi (Pectobacterium chrysanthemi) (Erwinia chrysanthemi)
Gene Symbol: ansB Gene ID: -
Protein Class: HYDROLASE
Ligand
Ligand Name:   6-diazo-5-oxo-d-norleucine
Canonical SMILES:   N[C@H](CCC(=O)C=[N+]=[N-])C(O)=O
Standard InChI:   InChI=1S/C6H9N3O3/c7-5(6(11)12)2-1-4(10)3-9-8/h3,5H,1-2,7H2,(H,11,12)/t5-/m1/s1
HET Code:   DDO PubChem:   54501694
DrugBank:   - ChEMBL:   -
Molecular Formula:   C6H9N3O3 Mol. Weight:   171.06439 logP:   -0.9518
HBD:   2 HBA:   3
#Rotatable Bonds:   5 TPSA:   116.79
Covalent Mechanism
Reaction Name Residue Chain ID SASA pKa Warhead Name Warhead Structure
Hemi(thio)acetalization TYR 29 A 58.08 17.06 Diazomethyl Carbonyl
Hemi(thio)acetalization THR 15 A 9.75 - Diazomethyl Carbonyl
Binding Affinity
-