› 4was

X-ray diffraction
1.7Å resolution

STRUCTURE OF THE ETR1P/NADP/CROTONYL-COA COMPLEX

Released:
DOI: 10.2210/pdb4was/pdb
PDB entry 4was coloured by chain, front view.
PDB entry 4was coloured by chain, side view.
PDB entry 4was coloured by chain, top view.
Source organism: Candida tropicalis
Primary publication:
The use of ene adducts to study and engineer enoyl-thioester reductases.
Rosenthal RG, Vögeli B, Quade N, Capitani G, Kiefer P, Vorholt JA, Ebert MO, Erb TJ
Nat Chem Biol 11 398-400 (2015)
PMID: 25867044

Function and Biology Details

Reaction catalysed: 
An acyl-[acyl-carrier protein] + NADP(+) = a trans-2,3-dehydroacyl-[acyl-carrier protein] + NADPH
Biochemical function:
Biological process:
Cellular component:
Sequence domains:

Structure analysis Details

Assembly composition:
homo dimer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-186819 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Enoyl-[acyl-carrier-protein] reductase 1, mitochondrial Chains: A, B, C
Molecule details ›
Chains: A, B, C
Length: 364 amino acids
Theoretical weight: 39.56 KDa
Source organism: Candida tropicalis
Expression system: Escherichia coli BL21(DE3)
UniProt:
  • Canonical: Q8WZM3 (Residues: 23-386; Coverage: 94%)
Gene name: ETR1
Sequence domains: Zinc-binding dehydrogenase
Structure domains:

Ligands and Environments

2 bound ligands:
Ligand NAP 3 x NAP
Ligand COO 3 x COO
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: SLS BEAMLINE X06SA
Spacegroup: C2
Unit cell:
a: 147.92Å b: 106.14Å c: 94.41Å
α: 90° β: 98.41° γ: 90°
R-values:
R R work R free
0.188 0.188 0.224
Expression system: Escherichia coli BL21(DE3)

Quick links

Citations

2 review citations

Oxidative Cyclization in Natural Product Biosynthesis.
Tang et al. (2017)
1 more

2 mentions without citation

Stereocontrol within polyketide assembly lines.
Keatinge-Clay AT. (2016)
1 more