› 3owu

X-ray diffraction
1.7Å resolution

Crystal Structure of Ketosteroid Isomerase D40N/C69S/C81S/C97S/F86C-CN from P. putida with Bound Equilenin

Released:
DOI: 10.2210/pdb3owu/pdb
PDB entry 3owu coloured by chain, front view.
PDB entry 3owu coloured by chain, side view.
PDB entry 3owu coloured by chain, top view.
Source organism: Pseudomonas putida
Primary publication:
Quantitative, directional measurement of electric field heterogeneity in the active site of ketosteroid isomerase.
Fafarman AT, Sigala PA, Schwans JP, Fenn TD, Herschlag D, Boxer SG
Proc Natl Acad Sci U S A 109 E299-308 (2012)
PMID: 22308339

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 Chains: A, B, C, D
Molecule details ›
Chains: A, B, C, D
Length: 131 amino acids
Theoretical weight: 14.48 KDa
Source organism: Pseudomonas putida
Expression system: Escherichia coli BL21
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 4 x EQU
1 modified residue:
Ligand XCN 4 x XCN

Experiments and Validation Details

Entry percentile scores
X-ray source: ALS BEAMLINE 8.2.2
Spacegroup: P21
Unit cell:
a: 45.231Å b: 130.329Å c: 45.131Å
α: 90° β: 112.69° γ: 90°
R-values:
R R work R free
0.218 0.216 0.27
Expression system: Escherichia coli BL21

Quick links

Citations

7 review citations

Electric Fields and Enzyme Catalysis.
Fried et al. (2017)
6 more

4 mentions without citation

Quantitative, directional measurement of electric field heterogeneity in the active site of ketosteroid isomerase.
Fafarman et al. (2012)
3 more