› 1l7r

X-ray diffraction
1.64Å resolution

Tyr44Phe Mutant of Bacterial Cocaine Esterase cocE

Released:
DOI: 10.2210/pdb1l7r/pdb
PDB entry 1l7r coloured by chain, front view.
PDB entry 1l7r coloured by chain, side view.
PDB entry 1l7r coloured by chain, top view.
Source organism: Rhodococcus sp. MB1
Primary publication:
Biochemical characterization and structural analysis of a highly proficient cocaine esterase.
Turner JM, Larsen NA, Basran A, Barbas CF, Bruce NC, Wilson IA, Lerner RA
Biochemistry 41 12297-307 (2002)
PMID: 12369817

Function and Biology Details

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

Structure analysis Details

Assembly composition:
monomeric (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-192228 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Cocaine esterase Chain: A
Molecule details ›
Chain: A
Length: 574 amino acids
Theoretical weight: 62.17 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

No bound ligands
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: SSRL BEAMLINE BL9-2
Spacegroup: P6522
Unit cell:
a: 106.193Å b: 106.193Å c: 220.872Å
α: 90° β: 90° γ: 120°
R-values:
R R work R free
0.19 0.19 0.21
Expression system: Escherichia coli

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Citations

6 review citations

Agents in development for the management of cocaine abuse.
Gorelick et al. (2004)
5 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)