› 2aj9

X-ray diffraction
2.5Å resolution

X-ray crystal structure of W42A,R161A double mutant of Mycobacterium tuberculosis beta-ketoacyl-ACP synthase III

Released:
DOI: 10.2210/pdb2aj9/pdb
PDB entry 2aj9 coloured by chain, front view.
PDB entry 2aj9 coloured by chain, side view.
PDB entry 2aj9 coloured by chain, top view.
Source organism: Mycobacterium tuberculosis
Primary publication:
Probing the mechanism of the Mycobacterium tuberculosis beta-ketoacyl-acyl carrier protein synthase III mtFabH: factors influencing catalysis and substrate specificity.
Brown AK, Sridharan S, Kremer L, Lindenberg S, Dover LG, Sacchettini JC, Besra GS
J Biol Chem 280 32539-47 (2005)
PMID: 16040614

Function and Biology Details

Reaction catalysed: 
Dodecanoyl-CoA + a malonyl-[acyl-carrier protein] = a 3-oxotetradecanoyl-[acyl-carrier protein] + CoA + CO(2)
Biochemical function:
Biological process:
Cellular component:
Sequence domains:
Structure domain:

Structure analysis Details

Assembly composition:
homo dimer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-161855 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Mycobacterial beta-ketoacyl-[acyl-carrier-protein] synthase III Chains: A, B
Molecule details ›
Chains: A, B
Length: 356 amino acids
Theoretical weight: 36.94 KDa
Source organism: Mycobacterium tuberculosis
Expression system: Escherichia coli
UniProt:
  • Canonical: P9WNG3 (Residues: 1-335; Coverage: 100%)
Gene names: MTCY25D10.12c, Rv0533c, fabH
Sequence domains:
Structure domains: Peroxisomal Thiolase; Chain A, domain 1

Ligands and Environments

No bound ligands
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: APS BEAMLINE 14-BM-C
Spacegroup: P21
Unit cell:
a: 64.174Å b: 56.021Å c: 88.19Å
α: 90° β: 90.57° γ: 90°
R-values:
R R work R free
0.225 0.225 0.279
Expression system: Escherichia coli

Quick links

Citations

7 review citations

The Mycobacterium tuberculosis FAS-II condensing enzymes: their role in mycolic acid biosynthesis, acid-fastness, pathogenesis and in future drug development.
Bhatt et al. (2007)
6 more

1 mention without citation

Discordant and chameleon sequences: their distribution and implications for amyloidogenicity.
Gendoo et al. (2011)