› 6ayb

X-ray diffraction
1.87Å resolution

Naegleria fowleri CYP51-ketoconazole complex

Released:
DOI: 10.2210/pdb6ayb/pdb
PDB entry 6ayb coloured by chain, front view.
PDB entry 6ayb coloured by chain, side view.
PDB entry 6ayb coloured by chain, top view.
Source organism: Naegleria fowleri
Primary publication:
CYP51 is an essential drug target for the treatment of primary amoebic meningoencephalitis (PAM).
Debnath A, Calvet CM, Jennings G, Zhou W, Aksenov A, Luth MR, Abagyan R, Nes WD, McKerrow JH, Podust LM
PLoS Negl Trop Dis 11 e0006104 (2017)
PMID: 29284029

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:
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

4 bound ligands:
Ligand HEM 1 x HEM
Ligand EDO 5 x EDO
Ligand CA 1 x CA
Ligand KKK 1 x KKK
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: 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

Quick links

Citations

2 review citations

Primary Amoebic Meningoencephalitis by Naegleria fowleri: Pathogenesis and Treatments.
Güémez et al. (2021)
1 more

1 mention without citation

CYP51 is an essential drug target for the treatment of primary amoebic meningoencephalitis (PAM).
Debnath et al. (2017)