› 3v1u

X-ray diffraction
2.5Å resolution

Crystal structure of a beta-ketoacyl reductase FabG4 from Mycobacterium tuberculosis H37Rv complexed with NAD+ and Hexanoyl-CoA at 2.5 Angstrom resolution

Released:
DOI: 10.2210/pdb3v1u/pdb
PDB entry 3v1u coloured by chain, front view.
PDB entry 3v1u coloured by chain, side view.
PDB entry 3v1u coloured by chain, top view.
Source organism: Mycobacterium tuberculosis H37Rv
Primary publication:
Crystal structure of hexanoyl-CoA bound to β-ketoacyl reductase FabG4 of Mycobacterium tuberculosis.
Dutta D, Bhattacharyya S, Roychowdhury A, Biswas R, Das AK
Biochem J 450 127-39 (2013)
PMID: 23163771

Function and Biology Details

Reaction catalysed: 
(3R)-3-hydroxyacyl-[acyl-carrier-protein] + NADP(+) = 3-oxoacyl-[acyl-carrier-protein] + NADPH
Biochemical function:
Biological process:
Cellular component:
Sequence domains:

Structure analysis Details

Assembly composition:
homo dimer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-129464 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
3-oxoacyl-(Acyl-carrier-protein) reductase Chain: A
Molecule details ›
Chain: A
Length: 462 amino acids
Theoretical weight: 47.85 KDa
Source organism: Mycobacterium tuberculosis H37Rv
Expression system: Escherichia coli
UniProt:
  • Canonical: O53665 (Residues: 1-454; Coverage: 100%)
Gene names: MT0256, fabG-1
Sequence domains: Enoyl-(Acyl carrier protein) reductase
Structure domains: NAD(P)-binding Rossmann-like Domain

Ligands and Environments


Cofactor: Ligand NAD 1 x NAD
2 bound ligands:
Ligand HXC 1 x HXC
Ligand ZPG 1 x ZPG
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: RIGAKU MICROMAX-007 HF
Spacegroup: P3221
Unit cell:
a: 103.059Å b: 103.059Å c: 76.047Å
α: 90° β: 90° γ: 120°
R-values:
R R work R free
0.192 0.19 0.24
Expression system: Escherichia coli

Quick links

Citations

1 review citation

Architecture of the polyketide synthase module: surprises from electron cryo-microscopy.
Smith et al. (2015)
14 other articles

8 mentions without citation

Stereocontrol within polyketide assembly lines.
Keatinge-Clay AT. (2016)
7 more