› 1ju4

X-ray diffraction
1.63Å resolution

BACTERIAL COCAINE ESTERASE COMPLEX WITH PRODUCT

Released:
DOI: 10.2210/pdb1ju4/pdb
PDB entry 1ju4 coloured by chain, front view.
PDB entry 1ju4 coloured by chain, side view.
PDB entry 1ju4 coloured by chain, top view.
Source organism: Rhodococcus sp. MB1
Primary publication:
Crystal structure of a bacterial cocaine esterase.
Larsen NA, Turner JM, Stevens J, Rosser SJ, Basran A, Lerner RA, Bruce NC, Wilson IA
Nat Struct Biol 9 17-21 (2002)
PMID: 11742345

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: 583 amino acids
Theoretical weight: 63.35 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

1 bound ligand:
Ligand BEZ 1 x BEZ
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: ALS BEAMLINE 5.0.2, SSRL BEAMLINE BL9-2
Spacegroup: P6522
Unit cell:
a: 106.216Å b: 106.216Å c: 222.21Å
α: 90° β: 90° γ: 120°
R-values:
R R work R free
0.19 0.19 0.219
Expression system: Escherichia coli

Quick links

Citations

6 review citations

Stabilizing biocatalysts.
Bommarius et al. (2013)
5 more

7 mentions without citation

Structural analysis of thermostabilizing mutations of cocaine esterase.
Narasimhan et al. (2010)
6 more