› 3ida

X-ray diffraction
1.6Å resolution

Thermostable Cocaine Esterase with mutations L169K and G173Q, bound to DTT adduct

Released:
DOI: 10.2210/pdb3ida/pdb
PDB entry 3ida coloured by chain, front view.
PDB entry 3ida coloured by chain, side view.
PDB entry 3ida coloured by chain, top view.
Source organism: Rhodococcus sp. MB1
Primary publication:
A thermally stable form of bacterial cocaine esterase: a potential therapeutic agent for treatment of cocaine abuse.
Brim RL, Nance MR, Youngstrom DW, Narasimhan D, Zhan CG, Tesmer JJ, Sunahara RK, Woods JH
Mol Pharmacol 77 593-600 (2010)
PMID: 20086035

Function and Biology Details

Reaction catalysed: 
Cocaine + H(2)O = ecgonine methyl ester + benzoate
Biochemical function:
Biological process:
Cellular component:
Sequence domains:

Structure analysis Details

Assembly composition:
homo dimer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-192229 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Cocaine esterase Chain: A
Molecule details ›
Chain: A
Length: 587 amino acids
Theoretical weight: 63.8 KDa
Source organism: Rhodococcus sp. MB1
Expression system: Escherichia coli
UniProt:
  • Canonical: Q9L9D7 (Residues: 1-574; Coverage: 100%)
Gene name: cocE
Sequence domains:
Structure domains:

Ligands and Environments

3 bound ligands:
Ligand CL 3 x CL
Ligand DBC 1 x DBC
Ligand GOL 8 x GOL
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: APS BEAMLINE 21-ID-D
Spacegroup: P6522
Unit cell:
a: 108.28Å b: 108.28Å c: 227.212Å
α: 90° β: 90° γ: 120°
R-values:
R R work R free
0.177 0.177 0.195
Expression system: Escherichia coli

Quick links

Citations

5 review citations

Epigenetics: a link between addiction and social environment.
Ajonijebu et al. (2017)
4 more

1 mention without citation

A thermally stable form of bacterial cocaine esterase: a potential therapeutic agent for treatment of cocaine abuse.
Brim et al. (2010)