6ayb

X-ray diffraction
1.87Å resolution

Naegleria fowleri CYP51-ketoconazole complex

Released:
Source organism: Naegleria fowleri
Entry authors: Debnath A, Calvet CM, Jennings G, Zhou W, Aksenov A, Luth M, Abagyan R, Nes WD, McKerrow JH, Podust LM

Function and Biology Details

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

Structure analysis Details

Assembly composition:
monomeric (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Protein CYP51 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

1 modified residue:

Experiments and Validation Details

Entry percentile scores
X-ray source: ALS BEAMLINE 8.3.1
Spacegroup: C2
Unit cell:
a: 119.21Å b: 55.25Å c: 71.62Å
α: 90° β: 100.13° γ: 90°
R-values:
R R work R free
0.245 0.243 0.284
Expression system: Escherichia coli