› 5ai1

X-ray diffraction
2.1Å resolution

Crystal structure of ketosteroid isomerase containing Y32F, D40N, Y57F and Y119F mutations in the equilenin-bound form

Released:
DOI: 10.2210/pdb5ai1/pdb
PDB entry 5ai1 coloured by chain, front view.
PDB entry 5ai1 coloured by chain, side view.
PDB entry 5ai1 coloured by chain, top view.
Source organism: Pseudomonas putida
Primary publication:
Contribution of a low-barrier hydrogen bond to catalysis is not significant in ketosteroid isomerase.
Jang DS, Choi G, Cha HJ, Shin S, Hong BH, Lee HJ, Lee HC, Choi KY
Mol Cells 38 409-15 (2015)
PMID: 25947291

Function and Biology Details

Reaction catalysed: 
A 3-oxo-Delta(5)-steroid = a 3-oxo-Delta(4)-steroid
Biochemical function:
Biological process:
Cellular component:
  • not assigned
Sequence domains:

Structure analysis Details

Assembly composition:
homo dimer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-139594 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Steroid Delta-isomerase Chain: A
Molecule details ›
Chain: A
Length: 131 amino acids
Theoretical weight: 14.5 KDa
Source organism: Pseudomonas putida
Expression system: Escherichia coli BL21(DE3)
UniProt:
  • Canonical: P07445 (Residues: 1-131; Coverage: 100%)
Gene name: ksi
Sequence domains: SnoaL-like domain
Structure domains: Nuclear Transport Factor 2; Chain: A,

Ligands and Environments

1 bound ligand:
Ligand EQU 1 x EQU
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: PAL/PLS BEAMLINE 5C (4A)
Spacegroup: C2221
Unit cell:
a: 35.195Å b: 95.769Å c: 73.534Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.197 0.19 0.259
Expression system: Escherichia coli BL21(DE3)

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Citations

1 review citation

On the Case of the Misplaced Hydrogens.
Kumar et al. (2021)
2 other articles

1 mention without citation

Contribution of a low-barrier hydrogen bond to catalysis is not significant in ketosteroid isomerase.
Jang et al. (2015)