› 8dl4

X-ray diffraction
1.91Å resolution

S. CEREVISIAE CYP51 COMPLEXED WITH Courmarin-containing INHIBITOR

Released:
DOI: 10.2210/pdb8dl4/pdb
PDB entry 8dl4 coloured by chain, front view.
PDB entry 8dl4 coloured by chain, side view.
PDB entry 8dl4 coloured by chain, top view.
Source organism: Saccharomyces cerevisiae YJM789
Entry authors: Ruma YN, Keniya MV, Tyndall JD, Monk BC

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:
Cellular component:
Sequence domains:

Structure analysis Details

Assembly composition:
monomeric (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-145359 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Lanosterol 14-alpha demethylase CYP51 Chain: A
Molecule details ›
Chain: A
Length: 539 amino acids
Theoretical weight: 61.89 KDa
Source organism: Saccharomyces cerevisiae YJM789
Expression system: Saccharomyces cerevisiae
UniProt:
  • Canonical: P10614 (Residues: 1-530; Coverage: 100%)
Gene names: CYP51, ERG11, YHR007C
Sequence domains: Cytochrome P450

Ligands and Environments

4 bound ligands:
Ligand HEM 1 x HEM
Ligand SKX 1 x SKX
Ligand 1PE 1 x 1PE
Ligand BGC 1 x BGC
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: AUSTRALIAN SYNCHROTRON BEAMLINE MX2
Spacegroup: P21
Unit cell:
a: 76.392Å b: 64.379Å c: 81.003Å
α: 90° β: 98.3° γ: 90°
R-values:
R R work R free
0.192 0.191 0.21
Expression system: Saccharomyces cerevisiae

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