› 4bku

X-ray diffraction
1.84Å resolution

Enoyl-ACP reductase FabI from Burkholderia pseudomallei with cofactor NADH and inhibitor PT155

Released:
DOI: 10.2210/pdb4bku/pdb
PDB entry 4bku coloured by chain, front view.
PDB entry 4bku coloured by chain, side view.
PDB entry 4bku coloured by chain, top view.
Source organism: Burkholderia pseudomallei 1026b
Primary publication:
Rational design of broad spectrum antibacterial activity based on a clinically relevant enoyl-acyl carrier protein (ACP) reductase inhibitor.
Schiebel J, Chang A, Shah S, Lu Y, Liu L, Pan P, Hirschbeck MW, Tareilus M, Eltschkner S, Yu W, Cummings JE, Knudson SE, Bommineni GR, Walker SG, Slayden RA, Sotriffer CA, Tonge PJ, Kisker C
J Biol Chem 289 15987-6005 (2014)
PMID: 24739388

Function and Biology Details

Reaction catalysed: 
An acyl-[acyl-carrier protein] + NAD(+) = a trans-2,3-dehydroacyl-[acyl-carrier protein] + NADH
Biochemical function:
Biological process:
Cellular component:
  • not assigned
Sequence domains:

Structure analysis Details

Assembly composition:
homo tetramer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-101892 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Enoyl-[acyl-carrier-protein] reductase [NADH] Chain: A
Molecule details ›
Chain: A
Length: 276 amino acids
Theoretical weight: 29.33 KDa
Source organism: Burkholderia pseudomallei 1026b
Expression system: Escherichia coli BL21(DE3)
UniProt:
  • Canonical: A0A0H3HP34 (Residues: 1-263; Coverage: 100%)
Gene names: BP1026B_I1187, fabI
Sequence domains: Enoyl-(Acyl carrier protein) reductase
Structure domains: NAD(P)-binding Rossmann-like Domain

Ligands and Environments


Cofactor: Ligand NAI 1 x NAI
1 bound ligand:
Ligand 1S5 1 x 1S5
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: RIGAKU MICROMAX-007 HF
Spacegroup: I222
Unit cell:
a: 74.32Å b: 75.95Å c: 89.42Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.138 0.137 0.162
Expression system: Escherichia coli BL21(DE3)

Quick links

Citations

4 review citations

How bacterial pathogens eat host lipids: implications for the development of fatty acid synthesis therapeutics.
Yao et al. (2015)
3 more

3 mentions without citation

Rational design of broad spectrum antibacterial activity based on a clinically relevant enoyl-acyl carrier protein (ACP) reductase inhibitor.
Schiebel et al. (2014)
2 more