› 4hc8

X-ray diffraction
2.51Å resolution

CRYSTAL STRUCTURE OF PROBABLE ENOYL-CoA HYDRATASE ECHA3 (Rv0632c, NYSGRC-019494) from Mycobacterium Tuberculosis H37Rv

Released:
DOI: 10.2210/pdb4hc8/pdb
PDB entry 4hc8 coloured by chain, front view.
PDB entry 4hc8 coloured by chain, side view.
PDB entry 4hc8 coloured by chain, top view.
Source organism: Mycobacterium tuberculosis
Entry authors: Sampathkumar P, Almo SC, New York Structural Genomics Research Consortium (NYSGRC)

Function and Biology Details

Reaction catalysed: 
(3S)-3-hydroxyacyl-CoA = trans-2(or 3)-enoyl-CoA + H(2)O
Biochemical function:
  • not assigned
Biological process:
Cellular component:
  • not assigned
Sequence domains:

Structure analysis Details

Assembly composition:
homo trimer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-235702 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Probable enoyl-CoA hydratase EchA3 (Enoyl hydrase) (Unsaturated acyl-CoA hydratase) (Crotonase) Chains: A, B
Molecule details ›
Chains: A, B
Length: 255 amino acids
Theoretical weight: 27.86 KDa
Source organism: Mycobacterium tuberculosis
Expression system: Escherichia coli BL21(DE3)
UniProt:
  • Canonical: I6Y8B5 (Residues: 1-231; Coverage: 100%)
Gene names: Rv0632c, echA3
Sequence domains: Enoyl-CoA hydratase/isomerase
Structure domains: 2-enoyl-CoA Hydratase; Chain A, domain 1

Ligands and Environments

2 bound ligands:
Ligand SO4 4 x SO4
Ligand EDO 2 x EDO
1 modified residue:
Ligand MSE 18 x MSE

Experiments and Validation Details

Entry percentile scores
X-ray source: NSLS BEAMLINE X29A
Spacegroup: I23
Unit cell:
a: 154.883Å b: 154.883Å c: 154.883Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.186 0.182 0.249
Expression system: Escherichia coli BL21(DE3)

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