› 2pd4

X-ray diffraction
2.3Å resolution

Crystal Structure of the Helicobacter pylori Enoyl-Acyl Carrier Protein Reductase in Complex with Hydroxydiphenyl Ether Compounds, Triclosan and Diclosan

Released:
DOI: 10.2210/pdb2pd4/pdb
PDB entry 2pd4 coloured by chain, front view.
PDB entry 2pd4 coloured by chain, side view.
PDB entry 2pd4 coloured by chain, top view.
Source organism: Helicobacter pylori
Primary publication:
Crystal structure of the Helicobacter pylori enoyl-acyl carrier protein reductase in complex with hydroxydiphenyl ether compounds, triclosan and diclosan.
Lee HH, Moon J, Suh SW
Proteins 69 691-4 (2007)
PMID: 17879346

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 domain:

Structure analysis Details

Assembly composition:
homo tetramer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-127697 (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: 275 amino acids
Theoretical weight: 30.02 KDa
Source organism: Helicobacter pylori
Expression system: Escherichia coli
UniProt:
  • Canonical: O24990 (Residues: 1-275; Coverage: 100%)
Gene names: HP_0195, 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 DCN 4 x DCN
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: PAL/PLS BEAMLINE 6B
Spacegroup: P21
Unit cell:
a: 73.253Å b: 95.072Å c: 75.019Å
α: 90° β: 106.53° γ: 90°
R-values:
R R work R free
0.224 0.224 0.248
Expression system: Escherichia coli

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Citations

1 review citation

Recent advances in inhibitors of bacterial fatty acid synthesis type II (FASII) system enzymes as potential antibacterial agents.
Wang et al. (2013)
12 other articles

1 mention without citation

In Vitro Study of Biological Activity of Tanacetum vulgare Extracts.
Babich et al. (2023)