› 1qg6

X-ray diffraction
1.9Å resolution

CRYSTAL STRUCTURE OF E. COLI ENOYL ACYL CARRIER PROTEIN REDUCTASE IN COMPLEX WITH NAD AND TRICLOSAN

Released:
DOI: 10.2210/pdb1qg6/pdb
PDB entry 1qg6 coloured by chain, front view.
PDB entry 1qg6 coloured by chain, side view.
PDB entry 1qg6 coloured by chain, top view.
Source organism: Escherichia coli
Primary publication:
Kinetic and structural characteristics of the inhibition of enoyl (acyl carrier protein) reductase by triclosan.
Ward WH, Holdgate GA, Rowsell S, McLean EG, Pauptit RA, Clayton E, Nichols WW, Colls JG, Minshull CA, Jude DA, Mistry A, Timms D, Camble R, Hales NJ, Britton CJ, Taylor IW
Biochemistry 38 12514-25 (1999)
PMID: 10493822

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:
Sequence domains:
Structure domain:

Structure analysis Details

Assembly composition:
homo tetramer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-142473 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Enoyl-[acyl-carrier-protein] reductase [NADH] FabI Chains: A, B, C, D
Molecule details ›
Chains: A, B, C, D
Length: 261 amino acids
Theoretical weight: 27.76 KDa
Source organism: Escherichia coli
Expression system: Escherichia coli BL21
UniProt:
  • Canonical: P0AEK4 (Residues: 2-262; Coverage: 100%)
Gene names: JW1281, b1288, envM, fabI
Sequence domains: Enoyl-(Acyl carrier protein) reductase
Structure domains: NAD(P)-binding Rossmann-like Domain

Ligands and Environments


Cofactor: Ligand NAD 4 x NAD
1 bound ligand:
Ligand TCL 4 x TCL
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: SRS BEAMLINE PX9.6
Spacegroup: P21
Unit cell:
a: 74.16Å b: 80.29Å c: 82.75Å
α: 90° β: 104.46° γ: 90°
R-values:
R R work R free
0.202 0.202 0.207
Expression system: Escherichia coli BL21

Quick links

Citations

17 review citations

Do enthalpy and entropy distinguish first in class from best in class?
Freire E. (2008)
16 more

6 mentions without citation

A slow, tight binding inhibitor of InhA, the enoyl-acyl carrier protein reductase from Mycobacterium tuberculosis.
Luckner et al. (2010)
5 more