› 2qny

X-ray diffraction
2.15Å resolution

Crystal structure of the complex between the A246F mutant of mycobacterium beta-ketoacyl-acyl carrier protein synthase III (FABH) and SS-(2-hydroxyethyl) O-decyl ester carbono(dithioperoxoic) acid

Released:
DOI: 10.2210/pdb2qny/pdb
PDB entry 2qny coloured by chain, front view.
PDB entry 2qny coloured by chain, side view.
PDB entry 2qny coloured by chain, top view.
Source organism: Mycobacterium tuberculosis
Primary publication:
Separate entrance and exit portals for ligand traffic in Mycobacterium tuberculosis FabH.
Sachdeva S, Musayev FN, Alhamadsheh MM, Scarsdale JN, Wright HT, Reynolds KA
Chem Biol 15 402-12 (2008)
PMID: 18420147

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: 335 amino acids
Theoretical weight: 34.98 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

2 bound ligands:
Ligand DFD 2 x DFD
Ligand BME 3 x BME
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: RIGAKU MICROMAX-007
Spacegroup: C2221
Unit cell:
a: 67.704Å b: 88.689Å c: 229.903Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.2 0.195 0.245
Expression system: Escherichia coli

Quick links

Citations

2 review citations

Recent advancements in the development of anti-tuberculosis drugs.
Chetty et al. (2017)
1 more

1 mention without citation

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