› 6uae

X-ray diffraction
1.93Å resolution

Ketosteroid isomerase (C. testosteroni) with truncated & designed loop for precise positioning of a catalytic E38

Released:
DOI: 10.2210/pdb6uae/pdb
PDB entry 6uae coloured by chain, front view.
PDB entry 6uae coloured by chain, side view.
PDB entry 6uae coloured by chain, top view.
Source organism: Comamonas testosteroni
Entry authors: Krivacic C, Kundert K, Thompson MC, Fraser JS, Kortemme T

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:
monomeric (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-133705 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Steroid Delta-isomerase Chains: A, B, C, D
Molecule details ›
Chains: A, B, C, D
Length: 127 amino acids
Theoretical weight: 13.85 KDa
Source organism: Comamonas testosteroni
Expression system: Escherichia coli
UniProt:
  • Canonical: P00947 (Residues: 1-125; Coverage: 100%)
Gene name: ksi
Sequence domains: SnoaL-like domain

Ligands and Environments

3 bound ligands:
Ligand SO4 12 x SO4
Ligand DXC 3 x DXC
Ligand EQU 3 x EQU
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: ALS BEAMLINE 8.3.1
Spacegroup: P21212
Unit cell:
a: 73.012Å b: 209.997Å c: 39.639Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.177 0.175 0.212
Expression system: Escherichia coli

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