› 6ufs

X-ray diffraction
1.47Å resolution

Crystal structure of ketosteroid isomerase from Pseudomonas putida (pKSI) bound to 5 alpha-dihydronandrolone

Released:
DOI: 10.2210/pdb6ufs/pdb
PDB entry 6ufs coloured by chain, front view.
PDB entry 6ufs coloured by chain, side view.
PDB entry 6ufs coloured by chain, top view.
Source organism: Pseudomonas putida
Primary publication:
A Preorganized Electric Field Leads to Minimal Geometrical Reorientation in the Catalytic Reaction of Ketosteroid Isomerase.
Wu Y, Fried SD, Boxer SG
J Am Chem Soc 142 9993-9998 (2020)
PMID: 32378409

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
Molecule details ›
Chains: A, B
Length: 135 amino acids
Theoretical weight: 15.02 KDa
Source organism: Pseudomonas putida
Expression system: Escherichia coli
UniProt:
  • Canonical: P07445 (Residues: 1-131; Coverage: 100%)
Gene name: ksi
Sequence domains: SnoaL-like domain

Ligands and Environments

1 bound ligand:
Ligand Q6J 1 x Q6J
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: SSRL BEAMLINE BL12-2
Spacegroup: P212121
Unit cell:
a: 35.661Å b: 73.481Å c: 95.027Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.19 0.188 0.22
Expression system: Escherichia coli

Quick links

Citations

6 review citations

Advances in optimizing enzyme electrostatic preorganization.
Hennefarth et al. (2022)
5 more

1 mention without citation

A Preorganized Electric Field Leads to Minimal Geometrical Reorientation in the Catalytic Reaction of Ketosteroid Isomerase.
Wu et al. (2020)