› 2wyw

X-ray diffraction
1.9Å resolution

High resolution structure of Thermus thermophilus enoyl-acyl carrier protein reductase NAD and triclosan-form

Released:
DOI: 10.2210/pdb2wyw/pdb
PDB entry 2wyw coloured by chain, front view.
PDB entry 2wyw coloured by chain, side view.
PDB entry 2wyw coloured by chain, top view.
Source organism: Thermus thermophilus HB8
Primary publication:
High-resolution structures of Thermus thermophilus enoyl-acyl carrier protein reductase in the apo form, in complex with NAD+ and in complex with NAD+ and triclosan.
Otero JM, Noël AJ, Guardado-Calvo P, Llamas-Saiz AL, Wende W, Schierling B, Pingoud A, van Raaij MJ
Acta Crystallogr Sect F Struct Biol Cryst Commun 68 1139-48 (2012)
PMID: 23027736

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-178169 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Enoyl-[acyl-carrier-protein] reductase [NADH] Chains: A, B, C, D
Molecule details ›
Chains: A, B, C, D
Length: 261 amino acids
Theoretical weight: 28.14 KDa
Source organism: Thermus thermophilus HB8
Expression system: Escherichia coli BL21(DE3)
UniProt:
  • Canonical: Q5SLI9 (Residues: 1-261; Coverage: 100%)
Gene name: TTHA0304
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: EMBL/DESY, HAMBURG BEAMLINE X11
Spacegroup: P21
Unit cell:
a: 57.71Å b: 127.55Å c: 66.5Å
α: 90° β: 108.2° γ: 90°
R-values:
R R work R free
0.156 0.155 0.196
Expression system: Escherichia coli BL21(DE3)

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Citations

2 citation in other articles

Identification of Growth Inhibitors of the Fish Pathogen Saprolegnia parasitica Using in silico Subtractive Proteomics, Computational Modeling, and Biochemical Validation.
Kumar et al. (2020)
1 more

2 mentions without citation

Crystal structures and kinetic properties of enoyl-acyl carrier protein reductase I from Candidatus Liberibacter asiaticus.
Jiang et al. (2014)
1 more