› 6ww0

X-ray diffraction
2.01Å resolution

Human steroidogenic cytochrome P450 17A1 with 3-keto-5alpha-abiraterone analog

Released:
DOI: 10.2210/pdb6ww0/pdb
PDB 6ww0 coloured by chain and viewed from the front.
PDB 6ww0 coloured by chain and viewed from the side.
PDB 6ww0 coloured by chain and viewed from the top.
Source organism: Homo sapiens
Entry authors: Petrunak EM, Bart AG, Scott EE

Function and Biology Details

Reactions catalysed: 
17-alpha-hydroxypregnenolone + [reduced NADPH--hemoprotein reductase] + O(2) = 3-beta-hydroxyandrost-5-en-17-one + acetate + [oxidized NADPH--hemoprotein reductase] + H(2)O
A C(21)-steroid + [reduced NADPH--hemoprotein reductase] + O(2) = a 17-alpha-hydroxy-C(21)-steroid + [oxidized NADPH--hemoprotein reductase] + H(2)O
Biochemical function:
Biological process:
Cellular component:

Structure analysis Details

Assembly composition:
monomeric (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Steroid 17-alpha-hydroxylase/17,20 lyase Chains: A, B, C, D
Molecule details ›
Chains: A, B, C, D
Length: 494 amino acids
Theoretical weight: 55.74 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli
UniProt:
  • Canonical: P05093 (Residues: 24-508; Coverage: 96%)
Gene names: CYP17, CYP17A1, S17AH
Sequence domains: Cytochrome P450

Ligands and Environments


Cofactor: Ligand HEM 4 x HEM
2 bound ligands:
Ligand UDJ 4 x UDJ
Ligand CL 2 x CL
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: SSRL BEAMLINE BL12-2
Spacegroup: P212121
Unit cell:
a: 85.722Å b: 151.182Å c: 169.944Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.187 0.185 0.218
Expression system: Escherichia coli

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