› 3fzw

X-ray diffraction
1.32Å resolution

Crystal Structure of Ketosteroid Isomerase D40N-D103N from Pseudomonas putida (pKSI) with bound equilenin

Released:
DOI: 10.2210/pdb3fzw/pdb
PDB entry 3fzw coloured by chain, front view.
PDB entry 3fzw coloured by chain, side view.
PDB entry 3fzw coloured by chain, top view.
Source organism: Pseudomonas putida
Primary publication:
Hydrogen bond coupling in the ketosteroid isomerase active site.
Sigala PA, Caaveiro JM, Ringe D, Petsko GA, Herschlag D
Biochemistry 48 6932-9 (2009)
PMID: 19469568

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: 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

3 bound ligands:
Ligand EQU 2 x EQU
Ligand GOL 2 x GOL
Ligand IPA 1 x IPA
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: SSRL BEAMLINE BL9-1
Spacegroup: C2
Unit cell:
a: 86.876Å b: 71.196Å c: 50.452Å
α: 90° β: 89.92° γ: 90°
R-values:
R R work R free
0.151 0.149 0.183
Expression system: Escherichia coli

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Citations

1 review citation

Fundamental challenges in mechanistic enzymology: progress toward understanding the rate enhancements of enzymes.
Herschlag et al. (2013)
12 other articles

5 mentions without citation

Decomposition of vibrational shifts of nitriles into electrostatic and hydrogen-bonding effects.
Fafarman et al. (2010)
4 more