› 1ps9

X-ray diffraction
2.2Å resolution

The Crystal Structure and Reaction Mechanism of E. coli 2,4-Dienoyl CoA Reductase

Released:
DOI: 10.2210/pdb1ps9/pdb
PDB entry 1ps9 coloured by chain, front view.
PDB entry 1ps9 coloured by chain, side view.
PDB entry 1ps9 coloured by chain, top view.
Source organism: Escherichia coli
Primary publication:
The crystal structure and reaction mechanism of Escherichia coli 2,4-dienoyl-CoA reductase.
Hubbard PA, Liang X, Schulz H, Kim JJ
J Biol Chem 278 37553-60 (2003)
PMID: 12840019

Function and Biology Details

Reaction catalysed: 
A (2E)-2-enoyl-CoA + NADP(+) = a (2E,4E)-2,4-dienoyl-CoA + NADPH
Biochemical function:
Biological process:
Cellular component:
  • not assigned
Sequence domains:
Structure domains:

Structure analysis Details

Assembly composition:
monomeric (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-154832 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
2,4-dienoyl-CoA reductase [(2E)-enoyl-CoA-producing] Chain: A
Molecule details ›
Chain: A
Length: 671 amino acids
Theoretical weight: 72.63 KDa
Source organism: Escherichia coli
Expression system: Escherichia coli
UniProt:
  • Canonical: P42593 (Residues: 2-672; Coverage: 100%)
Gene names: JW3052, b3081, fadH, ygjL
Sequence domains:
Structure domains:

Ligands and Environments


Cofactor: Ligand FAD 1 x FAD

Cofactor: Ligand FMN 1 x FMN

Cofactor: Ligand NAP 1 x NAP
3 bound ligands:
Ligand CL 3 x CL
Ligand SF4 1 x SF4
Ligand MDE 1 x MDE
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: RIGAKU RU200, APS BEAMLINE 14-BM-C
Spacegroup: P212121
Unit cell:
a: 65.601Å b: 109.227Å c: 110.304Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.205 0.203 0.243
Expression system: Escherichia coli

Quick links

Citations

2 review citations

Structural biology of the thioester-dependent degradation and synthesis of fatty acids.
Bhaumik et al. (2005)
1 more

16 mentions without citation

Degradation of Exogenous Fatty Acids in Escherichia coli.
Pavoncello et al. (2022)
15 more