› 3l4d

X-ray diffraction
2.75Å resolution

Crystal structure of sterol 14-alpha demethylase (CYP51) from Leishmania infantum in complex with fluconazole

Released:
DOI: 10.2210/pdb3l4d/pdb
PDB entry 3l4d coloured by chain, front view.
PDB entry 3l4d coloured by chain, side view.
PDB entry 3l4d coloured by chain, top view.
Source organism: Leishmania infantum
Primary publication:
Substrate preferences and catalytic parameters determined by structural characteristics of sterol 14alpha-demethylase (CYP51) from Leishmania infantum.
Hargrove TY, Wawrzak Z, Liu J, Nes WD, Waterman MR, Lepesheva GI
J Biol Chem 286 26838-48 (2011)
PMID: 21632531

Function and Biology Details

Biochemical function:
Biological process:
Cellular component:
  • not assigned
Sequence domains:

Structure analysis Details

Assembly composition:
homo tetramer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-106975 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Putative lanosterol 14-alpha-demethylase Chains: A, B, C, D
Molecule details ›
Chains: A, B, C, D
Length: 453 amino acids
Theoretical weight: 51.19 KDa
Source organism: Leishmania infantum
Expression system: Escherichia coli
UniProt:
  • Canonical: A2TEF2 (Residues: 32-480; Coverage: 94%)
Gene name: LINJ_11_1100
Sequence domains: Cytochrome P450
Structure domains: Cytochrome P450

Ligands and Environments


Cofactor: Ligand HEM 4 x HEM
2 bound ligands:
Ligand TPF 4 x TPF
Ligand N8E 1 x N8E
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: APS BEAMLINE 21-ID-G
Spacegroup: P21
Unit cell:
a: 84.891Å b: 118.509Å c: 100.96Å
α: 90° β: 104.82° γ: 90°
R-values:
R R work R free
0.221 0.219 0.267
Expression system: Escherichia coli

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Citations

13 review citations

Fungal cytochrome P450 sterol 14α-demethylase (CYP51) and azole resistance in plant and human pathogens.
Becher et al. (2012)
12 more

28 mentions without citation

Sterol 14alpha-demethylase (CYP51) as a therapeutic target for human trypanosomiasis and leishmaniasis.
Lepesheva et al. (2011)
27 more