› 8d3k

X-ray diffraction
2.3Å resolution

Crystal structure of human Apoptosis-Inducing Factor (AIF) complexed with 8-fluoro-2-methylquinolin-4-amine

Released:
DOI: 10.2210/pdb8d3k/pdb
PDB entry 8d3k coloured by chain, front view.
PDB entry 8d3k coloured by chain, side view.
PDB entry 8d3k coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Chemical screening by time-resolved X-ray scattering to discover allosteric probes.
Brosey CA, Link TM, Shen R, Moiani D, Burnett K, Hura GL, Jones DE, Tainer JA
Nat Chem Biol (2024)
PMID: 38671223

Function and Biology Details

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

Structure analysis Details

Assembly composition:
monomeric (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-132061 (preferred)
Entry contents:
2 distinct polypeptide molecules
Macromolecules (2 distinct):
Apoptosis-inducing factor 1, mitochondrial Chain: A
Molecule details ›
Chain: A
Length: 543 amino acids
Theoretical weight: 59.5 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli BL21(DE3)
UniProt:
  • Canonical: O95831 (Residues: 78-613; Coverage: 87%)
Gene names: AIF, AIFM1, PDCD8
Sequence domains:
Apoptosis-inducing factor 1, mitochondrial Chain: B
Molecule details ›
Chain: B
Length: 543 amino acids
Theoretical weight: 59.49 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli BL21(DE3)
UniProt:
  • Canonical: O95831 (Residues: 78-613; Coverage: 87%)
Gene names: AIF, AIFM1, PDCD8
Sequence domains:

Ligands and Environments

4 bound ligands:
Ligand QC6 2 x QC6
Ligand EDO 1 x EDO
Ligand FAD 2 x FAD
Ligand SO4 5 x SO4
1 modified residue:
Ligand CSX 3 x CSX

Experiments and Validation Details

Entry percentile scores
X-ray source: ALS BEAMLINE 8.3.1
Spacegroup: P212121
Unit cell:
a: 91.389Å b: 115.024Å c: 124.121Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.191 0.189 0.22
Expression system: Escherichia coli BL21(DE3)

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