› 4k29

X-ray diffraction
1.66Å resolution

Crystal structure of an enoyl-CoA hydratase/isomerase from Xanthobacter autotrophicus Py2

Released:
DOI: 10.2210/pdb4k29/pdb
PDB entry 4k29 coloured by chain, front view.
PDB entry 4k29 coloured by chain, side view.
PDB entry 4k29 coloured by chain, top view.
Source organism: Xanthobacter autotrophicus Py2
Entry authors: Eswaramoorthy S, Chamala S, Evans B, Foti F, Gizzi A, Hillerich B, Kar A, Lafleur J, Seidel R, Villigas G, Zencheck W, Al Obaidi N, Almo SC, Swaminathan S, New York Structural Genomics Research Consortium (NYSGRC)

Function and Biology Details

Biochemical function:
Biological process:
  • not assigned
Cellular component:
  • not assigned
Sequence domains:

Structure analysis Details

Assemblies composition:
homo hexamer
homo trimer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-108258 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Enoyl-CoA hydratase/isomerase Chains: A, B, C
Molecule details ›
Chains: A, B, C
Length: 295 amino acids
Theoretical weight: 32.57 KDa
Source organism: Xanthobacter autotrophicus Py2
Expression system: Escherichia coli BL21
UniProt:
  • Canonical: A7IKN6 (Residues: 1-273; Coverage: 100%)
Gene name: Xaut_3350
Sequence domains: Enoyl-CoA hydratase/isomerase
Structure domains: 2-enoyl-CoA Hydratase; Chain A, domain 1

Ligands and Environments

2 bound ligands:
Ligand TLA 3 x TLA
Ligand GOL 2 x GOL
1 modified residue:
Ligand MSE 30 x MSE

Experiments and Validation Details

Entry percentile scores
X-ray source: NSLS BEAMLINE X29A
Spacegroup: C2221
Unit cell:
a: 115.052Å b: 144.576Å c: 129.568Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.182 0.181 0.198
Expression system: Escherichia coli BL21

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