› 5tl8

X-ray diffraction
1.71Å resolution

Naegleria fowleri CYP51-posaconazole complex

Released:
DOI: 10.2210/pdb5tl8/pdb
PDB entry 5tl8 coloured by chain, front view.
PDB entry 5tl8 coloured by chain, side view.
PDB entry 5tl8 coloured by chain, top view.
Source organism: Naegleria fowleri
Entry authors: Podust LM, Jennings G, Calvet-Alvarez C, Debnath A

Function and Biology Details

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

Structure analysis Details

Assembly composition:
monomeric (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-104227 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
CYP51, sterol 14alpha-demethylase Chain: A
Molecule details ›
Chain: A
Length: 466 amino acids
Theoretical weight: 53.59 KDa
Source organism: Naegleria fowleri
Expression system: Escherichia coli
UniProt:
  • Canonical: A0A2H4A2U9 (Residues: 1-466; Coverage: 100%)
Gene name: NF0102700
Sequence domains: Cytochrome P450
Structure domains: Cytochrome P450

Ligands and Environments

4 bound ligands:
Ligand HEM 1 x HEM
Ligand X2N 1 x X2N
Ligand EDO 5 x EDO
Ligand CA 2 x CA
1 modified residue:
Ligand CSO 2 x CSO

Experiments and Validation Details

Entry percentile scores
X-ray source: ALS BEAMLINE 8.3.1
Spacegroup: C2
Unit cell:
a: 120.03Å b: 55.04Å c: 71.62Å
α: 90° β: 100.07° γ: 90°
R-values:
R R work R free
0.198 0.195 0.249
Expression system: Escherichia coli

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