› 2zjf

X-ray diffraction
2.4Å resolution

Crystal structure of Mycobacterium tuberculosis epoxide hydrolase B complexed with an inhibitor

Released:
DOI: 10.2210/pdb2zjf/pdb
PDB entry 2zjf coloured by chain, front view.
PDB entry 2zjf coloured by chain, side view.
PDB entry 2zjf coloured by chain, top view.
Source organism: Mycobacterium tuberculosis H37Rv
Primary publication:
The molecular structure of epoxide hydrolase B from Mycobacterium tuberculosis and its complex with a urea-based inhibitor.
Biswal BK, Morisseau C, Garen G, Cherney MM, Garen C, Niu C, Hammock BD, James MN
J Mol Biol 381 897-912 (2008)
PMID: 18585390

Function and Biology Details

Reaction catalysed: 
An epoxide + H(2)O = a glycol
Biochemical function:
Biological process:
Cellular component:
  • not assigned
Sequence domains:

Structure analysis Details

Assemblies composition:
homo dimer
monomeric (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-161150 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Epoxide hydrolase B Chain: A
Molecule details ›
Chain: A
Length: 362 amino acids
Theoretical weight: 40.13 KDa
Source organism: Mycobacterium tuberculosis H37Rv
Expression system: Escherichia coli BL21
UniProt:
  • Canonical: P95276 (Residues: 2-356; Coverage: 100%)
Gene name: MT1988
Sequence domains: alpha/beta hydrolase fold
Structure domains: alpha/beta hydrolase

Ligands and Environments

2 bound ligands:
Ligand ACT 3 x ACT
Ligand BSU 1 x BSU
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: SSRL BEAMLINE BL9-2
Spacegroup: P41212
Unit cell:
a: 66.415Å b: 66.415Å c: 156.829Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.202 0.202 0.256
Expression system: Escherichia coli BL21

Quick links

Citations

4 review citations

Gates of enzymes.
Gora et al. (2013)
3 more

6 mentions without citation

The molecular structure of epoxide hydrolase B from Mycobacterium tuberculosis and its complex with a urea-based inhibitor.
Biswal et al. (2008)
5 more