› 4wnb

X-ray diffraction
1.76Å resolution

Crystal structure of the ChsH1-ChsH2 complex from Mycobacterium tuberculosis bound to 3-OPC-CoA

Released:
DOI: 10.2210/pdb4wnb/pdb
PDB entry 4wnb coloured by chain, front view.
PDB entry 4wnb coloured by chain, side view.
PDB entry 4wnb coloured by chain, top view.
Source organisms:
Primary publication:
A distinct MaoC-like enoyl-CoA hydratase architecture mediates cholesterol catabolism in Mycobacterium tuberculosis.
Yang M, Guja KE, Thomas ST, Garcia-Diaz M, Sampson NS
ACS Chem Biol 9 2632-45 (2014)
PMID: 25203216

Function and Biology Details

Biochemical function:
  • not assigned
Biological process:
  • not assigned
Cellular component:
  • not assigned
Sequence domains:

Structure analysis Details

Assembly composition:
hetero tetramer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-165329 (preferred)
Entry contents:
2 distinct polypeptide molecules
Macromolecules (2 distinct):
Hydratase ChsH2 Chain: A
Molecule details ›
Chain: A
Length: 187 amino acids
Theoretical weight: 20.21 KDa
Source organism: Mycobacterium tuberculosis KZN 4207
Expression system: Escherichia coli
Structure domains: Hotdog Thioesterase
Hydratase ChsH1 Chain: B
Molecule details ›
Chain: B
Length: 129 amino acids
Theoretical weight: 13.97 KDa
Source organism: Mycobacterium tuberculosis C
Expression system: Escherichia coli
Structure domains: Hotdog Thioesterase

Ligands and Environments

3 bound ligands:
Ligand CD 2 x CD
Ligand CA 1 x CA
Ligand 4BN 1 x 4BN
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: APS BEAMLINE 23-ID-D
Spacegroup: P6122
Unit cell:
a: 51.882Å b: 51.882Å c: 436.235Å
α: 90° β: 90° γ: 120°
R-values:
R R work R free
0.218 0.216 0.255
Expression system: Escherichia coli

Quick links

Citations

4 review citations

Cholesterol and fatty acids grease the wheels of Mycobacterium tuberculosis pathogenesis.
Wilburn et al. (2018)
3 more

4 mentions without citation

Mycobacterium tuberculosis Exploits a Heterohexameric Enoyl-CoA Hydratase Retro-Aldolase Complex for Cholesterol Catabolism.
Yuan et al. (2019)
3 more