› 6uez

X-ray diffraction
1.98Å resolution

Human sterol 14a-demethylase (CYP51) in complex with the substrate lanosterol

Released:
DOI: 10.2210/pdb6uez/pdb
Model geometry
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PDB entry 6uez coloured by chain, front view.
PDB entry 6uez coloured by chain, side view.
PDB entry 6uez coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
A requirement for an active proton delivery network supports a compound I-mediated C-C bond cleavage in CYP51 catalysis.
Hargrove TY, Wawrzak Z, Guengerich FP, Lepesheva GI
J Biol Chem 295 9998-10007 (2020)
PMID: 32493730

Function and Biology Details

Reaction catalysed: 
(1a) a 14-alpha-methylsteroid + [reduced NADPH--hemoprotein reductase] + O(2) = a 14-alpha-hydroxysteroid + [oxidized NADPH--hemoprotein reductase] + H(2)O
Biochemical function:
Biological process:
  • not assigned
Cellular component:
  • not assigned
Sequence domains:

Structure analysis Details

Assembly composition:
monomeric (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-172597 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Lanosterol 14-alpha demethylase Chains: A, B
Molecule details ›
Chains: A, B
Length: 454 amino acids
Theoretical weight: 51.81 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli
UniProt:
  • Canonical: Q16850 (Residues: 67-509; Coverage: 87%)
  • Best match: Q16850-2 (Residues: 1-404)
Gene names: CYP51, CYP51A1
Sequence domains: Cytochrome P450

Ligands and Environments

2 bound ligands:
Ligand HEM 2 x HEM
Ligand LAN 2 x LAN
No modified residues

Experiments and Validation Details

wwPDB Validation report is not available for this entry.
X-ray source: APS BEAMLINE 21-ID-D
Spacegroup: C2221
Unit cell:
a: 91.18Å b: 165.07Å c: 154.03Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.193 0.191 0.222
Expression system: Escherichia coli

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Citations

1 review citation

Highlighting membrane protein structure and function: A celebration of the Protein Data Bank.
Li et al. (2021)
7 other articles

7 mentions without citation

Sterol 14α-Demethylase Ligand-Binding Pocket-Mediated Acquired and Intrinsic Azole Resistance in Fungal Pathogens.
Rosam et al. (2020)
6 more

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