PDB Entry (1jsr) |
||
| ||
PDB ID: 1jsr | 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-l-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-/m0/s1 | ||
HET Code: LDO | PubChem: 9087 | |
DrugBank: - | ChEMBL: CHEMBL97485 | |
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 |
Composite Reaction | TYR 29 | A | 56.89 | 17.11 | Diazomethyl Carbonyl | |
Composite Reaction | THR 15 | A | 9.3 | - | Diazomethyl Carbonyl |
Binding Affinity |
||
- |