› 8xgb

X-ray diffraction
3.24Å resolution

Crystal structure of human secretory glutaminyl cyclase in complex with (S)-1-(1H-benzo[d]imidazol-5-yl)-5-(4-propoxyphenyl)imidazolidin-2-one

Released:
DOI: 10.2210/pdb8xgb/pdb
PDB entry 8xgb coloured by chain, front view.
PDB entry 8xgb coloured by chain, side view.
PDB entry 8xgb coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
X-ray Structure-Guided Discovery of a Potent Benzimidazole Glutaminyl Cyclase Inhibitor That Shows Activity in a Parkinson's Disease Mouse Model.
Mou J, Ning XL, Wang XY, Hou SY, Meng FB, Zhou C, Wu JW, Li C, Jia T, Wu X, Wu Y, Chen Y, Li GB
J Med Chem (2024)
PMID: 38817193

Function and Biology Details

Reaction catalysed: 
L-glutaminyl-peptide = 5-oxoprolyl-peptide + NH(3)
Biochemical function:
Biological process:
Cellular component:

Structure analysis Details

Assembly composition:
monomeric (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-172570 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Glutaminyl-peptide cyclotransferase Chain: B
Molecule details ›
Chain: B
Length: 331 amino acids
Theoretical weight: 37.72 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli BL21(DE3)
UniProt:
  • Canonical: Q16769 (Residues: 32-361; Coverage: 99%)
Gene name: QPCT
Sequence domains: Peptidase family M28

Ligands and Environments

2 bound ligands:
Ligand ZN 1 x ZN
Ligand A1D49 1 x A1D49
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: SSRF BEAMLINE BL19U1
Spacegroup: R3
Unit cell:
a: 156.421Å b: 156.421Å c: 80.934Å
α: 90° β: 90° γ: 120°
R-values:
R R work R free
0.329 0.321 0.418
Expression system: Escherichia coli BL21(DE3)

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