› 4fw8

X-ray diffraction
2.79Å resolution

Crystal structure of FABG4 complexed with Coenzyme NADH

Released:
DOI: 10.2210/pdb4fw8/pdb
PDB entry 4fw8 coloured by chain, front view.
PDB entry 4fw8 coloured by chain, side view.
PDB entry 4fw8 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 Chains: A, B, C, D
Molecule details ›
Chains: A, B, C, D
Length: 454 amino acids
Theoretical weight: 46.88 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 NAI 4 x NAI
1 bound ligand:
Ligand ZPG 1 x ZPG
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: RIGAKU MICROMAX-007 HF
Spacegroup: P1
Unit cell:
a: 63.333Å b: 71.304Å c: 93.293Å
α: 104.99° β: 97.08° γ: 93.66°
R-values:
R R work R free
0.166 0.162 0.238
Expression system: Escherichia coli

Quick links

Citations

2 review citations

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

1 mention without citation

Advance in Research on Mycobacterium tuberculosis FabG4 and Its Inhibitor.
Dutta D. (2018)