› 1qjg

X-ray diffraction
2.3Å resolution

Crystal structure of delta5-3-ketosteroid isomerase from Pseudomonas testosteroni in complex with equilenin

Released:
DOI: 10.2210/pdb1qjg/pdb
PDB entry 1qjg coloured by chain, front view.
PDB entry 1qjg coloured by chain, side view.
PDB entry 1qjg coloured by chain, top view.
Source organism: Comamonas testosteroni
Primary publication:
Crystal structure of delta(5)-3-ketosteroid isomerase from Pseudomonas testosteroni in complex with equilenin settles the correct hydrogen bonding scheme for transition state stabilization.
Cho HS, Ha NC, Choi G, Kim HJ, Lee D, Oh KS, Kim KS, Lee W, Choi KY, Oh BH
J Biol Chem 274 32863-8 (1999)
PMID: 10551849

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 domain:

Structure analysis Details

Assembly composition:
homo dimer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-133706 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Steroid Delta-isomerase Chains: A, B, C, D, E, F
Molecule details ›
Chains: A, B, C, D, E, F
Length: 125 amino acids
Theoretical weight: 13.42 KDa
Source organism: Comamonas testosteroni
Expression system: Escherichia coli BL21(DE3)
UniProt:
  • Canonical: P00947 (Residues: 1-125; Coverage: 100%)
Gene name: ksi
Sequence domains: Nuclear transport factor 2 (NTF2) domain
Structure domains: Nuclear Transport Factor 2; Chain: A,

Ligands and Environments

2 bound ligands:
Ligand EQU 6 x EQU
Ligand SO4 1 x SO4
No modified residues

Experiments and Validation Details

Entry percentile scores
Spacegroup: P21
Unit cell:
a: 73.9Å b: 72.5Å c: 80.8Å
α: 90° β: 104.3° γ: 90°
R-values:
R R work R free
0.205 0.205 0.271
Expression system: Escherichia coli BL21(DE3)

Quick links

Citations

5 review citations

Biosynthesis of fungal meroterpenoids.
Matsuda et al. (2016)
4 more

9 mentions without citation

Low barrier hydrogen bonds in protein structure and function.
Kemp et al. (2021)
8 more