› 3cpo

X-ray diffraction
1.24Å resolution

Crystal structure of ketosteroid isomerase D40N with bound 2-fluorophenol

Released:
DOI: 10.2210/pdb3cpo/pdb
PDB entry 3cpo coloured by chain, front view.
PDB entry 3cpo coloured by chain, side view.
PDB entry 3cpo coloured by chain, top view.
Source organism: Pseudomonas putida
Primary publication:
Testing geometrical discrimination within an enzyme active site: constrained hydrogen bonding in the ketosteroid isomerase oxyanion hole.
Sigala PA, Kraut DA, Caaveiro JM, Pybus B, Ruben EA, Ringe D, Petsko GA, Herschlag D
J Am Chem Soc 130 13696-708 (2008)
PMID: 18808119

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-139594 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Steroid Delta-isomerase Chain: A
Molecule details ›
Chain: A
Length: 131 amino acids
Theoretical weight: 14.55 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

1 bound ligand:
Ligand FP2 1 x FP2
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: SSRL BEAMLINE BL9-1
Spacegroup: C2221
Unit cell:
a: 35.347Å b: 95.013Å c: 72.376Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.168 0.166 0.2
Expression system: Escherichia coli

Quick links

Citations

13 review citations

Biological phosphoryl-transfer reactions: understanding mechanism and catalysis.
Lassila et al. (2011)
12 more

8 mentions without citation

Testing geometrical discrimination within an enzyme active site: constrained hydrogen bonding in the ketosteroid isomerase oxyanion hole.
Sigala et al. (2008)
7 more