› 5kp1

X-ray diffraction
1.22Å resolution

Crystal Structure of Ketosteroid Isomerase from Pseudomonas putida (pKSI) bound to Equilenin; D40N, Y16(Cl-Y)

Released:
DOI: 10.2210/pdb5kp1/pdb
PDB entry 5kp1 coloured by chain, front view.
PDB entry 5kp1 coloured by chain, side view.
PDB entry 5kp1 coloured by chain, top view.
Source organism: Pseudomonas putida
Primary publication:
A Critical Test of the Electrostatic Contribution to Catalysis with Noncanonical Amino Acids in Ketosteroid Isomerase.
Wu Y, Boxer SG
J Am Chem Soc 138 11890-5 (2016)
PMID: 27545569

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: 135 amino acids
Theoretical weight: 15.05 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
Structure domains: Nuclear Transport Factor 2; Chain: A,

Ligands and Environments

2 bound ligands:
Ligand EQU 4 x EQU
Ligand SO4 2 x SO4
1 modified residue:
Ligand 3CT 4 x 3CT

Experiments and Validation Details

Entry percentile scores
X-ray source: SSRL BEAMLINE BL7-1
Spacegroup: P1
Unit cell:
a: 50.42Å b: 55.59Å c: 55.57Å
α: 79.73° β: 89.77° γ: 89.79°
R-values:
R R work R free
0.167 0.166 0.185
Expression system: Escherichia coli

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Citations

9 review citations

Biocatalysis with Unnatural Amino Acids: Enzymology Meets Xenobiology.
Agostini et al. (2017)
8 more

2 mentions without citation

A Critical Test of the Electrostatic Contribution to Catalysis with Noncanonical Amino Acids in Ketosteroid Isomerase.
Wu et al. (2016)
1 more