› 4ubv

X-ray diffraction
1.95Å resolution

Structure of the 3-ketoacyl-CoA thiolase FadA5 from M. tuberculosis with an partially acetylated cysteine in complex with acetyl-CoA and CoA

Released:
DOI: 10.2210/pdb4ubv/pdb
PDB entry 4ubv coloured by chain, front view.
PDB entry 4ubv coloured by chain, side view.
PDB entry 4ubv coloured by chain, top view.
Source organism: Mycobacterium tuberculosis H37Rv
Primary publication:
FadA5 a thiolase from Mycobacterium tuberculosis: a steroid-binding pocket reveals the potential for drug development against tuberculosis.
Schaefer CM, Lu R, Nesbitt NM, Schiebel J, Sampson NS, Kisker C
Structure 23 21-33 (2015)
PMID: 25482540

Function and Biology Details

Reaction catalysed: 
(1a) [acetyl-CoA C-acyltransferase]-S-acyl-L-cyteine + acetyl-CoA = 3-oxoacyl-CoA + [acetyl-CoA C-acyltransferase]-L-cyteine
Biochemical function:
Biological process:
Cellular component:
  • not assigned
Sequence domains:

Structure analysis Details

Assembly composition:
homo dimer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-125189 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Steroid 3-ketoacyl-CoA thiolase Chains: A, B
Molecule details ›
Chains: A, B
Length: 399 amino acids
Theoretical weight: 42.35 KDa
Source organism: Mycobacterium tuberculosis H37Rv
Expression system: Mycolicibacterium smegmatis MC2 155
UniProt:
  • Canonical: I6XHI4 (Residues: 1-391; Coverage: 100%)
Gene names: Rv3546, fadA5
Sequence domains:
Structure domains: Peroxisomal Thiolase; Chain A, domain 1

Ligands and Environments


Cofactor: Ligand ACO 1 x ACO

Cofactor: Ligand COA 2 x COA
3 bound ligands:
Ligand SO4 3 x SO4
Ligand DIO 7 x DIO
Ligand GOL 12 x GOL
1 modified residue:
Ligand SCY 2 x SCY

Experiments and Validation Details

Entry percentile scores
X-ray source: BESSY BEAMLINE 14.1
Spacegroup: P43212
Unit cell:
a: 124.68Å b: 124.68Å c: 124.71Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.195 0.193 0.231
Expression system: Mycolicibacterium smegmatis MC2 155

Quick links

Citations

3 review citations

Steroids as Environmental Compounds Recalcitrant to Degradation: Genetic Mechanisms of Bacterial Biodegradation Pathways.
Olivera et al. (2019)
2 more

3 mentions without citation

FadA5 a thiolase from Mycobacterium tuberculosis: a steroid-binding pocket reveals the potential for drug development against tuberculosis.
Schaefer et al. (2015)
2 more