› 4p08

X-ray diffraction
2.34Å resolution

Engineered thermostable dimeric cocaine esterase

Released:
DOI: 10.2210/pdb4p08/pdb
PDB entry 4p08 coloured by chain, front view.
PDB entry 4p08 coloured by chain, side view.
PDB entry 4p08 coloured by chain, top view.
Source organism: Rhodococcus sp. MB1
Primary publication:
Rational design, preparation, and characterization of a therapeutic enzyme mutant with improved stability and function for cocaine detoxification.
Fang L, Chow KM, Hou S, Xue L, Chen X, Rodgers DW, Zheng F, Zhan CG
ACS Chem Biol 9 1764-72 (2014)
PMID: 24919140

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: 571 amino acids
Theoretical weight: 61.95 KDa
Source organism: Rhodococcus sp. MB1
Expression system: Escherichia coli BL21(DE3)
UniProt:
  • Canonical: Q9L9D7 (Residues: 4-574; 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: APS BEAMLINE 22-ID
Spacegroup: P6522
Unit cell:
a: 106.647Å b: 106.647Å c: 220.532Å
α: 90° β: 90° γ: 120°
R-values:
R R work R free
0.179 0.177 0.221
Expression system: Escherichia coli BL21(DE3)

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Citations

1 review citation

Production and Purification of Therapeutic Enzymes.
Taipa et al. (2019)
16 other articles