› 3puh

X-ray diffraction
2.3Å resolution

Cocaine Esterase, wild-type biologically active dimer

Released:
DOI: 10.2210/pdb3puh/pdb
PDB entry 3puh coloured by chain, front view.
PDB entry 3puh coloured by chain, side view.
PDB entry 3puh coloured by chain, top view.
Source organism: Rhodococcus sp. MB1 'Bresler 1999'
Primary publication:
Subunit stabilization and polyethylene glycolation of cocaine esterase improves in vivo residence time.
Narasimhan D, Collins GT, Nance MR, Nichols J, Edwald E, Chan J, Ko MC, Woods JH, Tesmer JJ, Sunahara RK
Mol Pharmacol 80 1056-65 (2011)
PMID: 21890748

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 Chains: A, B
Molecule details ›
Chains: A, B
Length: 587 amino acids
Theoretical weight: 63.71 KDa
Source organism: Rhodococcus sp. MB1 'Bresler 1999'
Expression system: Escherichia coli BL21(DE3)
UniProt:
  • Canonical: Q9L9D7 (Residues: 1-574; Coverage: 100%)
Gene name: cocE
Sequence domains:
Structure domains:

Ligands and Environments

2 bound ligands:
Ligand GOL 3 x GOL
Ligand SO4 4 x SO4
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: APS BEAMLINE 21-ID-D
Spacegroup: P212121
Unit cell:
a: 73.345Å b: 105.442Å c: 224.518Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.21 0.208 0.249
Expression system: Escherichia coli BL21(DE3)

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Citations

2 review citations

Nano-antidotes for drug overdose and poisoning.
Forster et al. (2015)
1 more

1 mention without citation

Rational design, preparation, and characterization of a therapeutic enzyme mutant with improved stability and function for cocaine detoxification.
Fang et al. (2014)