› 8xga

X-ray diffraction
3.54Å resolution

Crystal structure of human Golgi resident glutaminyl cyclase in complex with (Z)-3-((1H-benzo[d]imidazol-5-yl)methylene)-4-((tetrahydro-2H-pyran-4-yl)oxy)indolin-2-one

Released:
DOI: 10.2210/pdb8xga/pdb
PDB entry 8xga coloured by chain, front view.
PDB entry 8xga coloured by chain, side view.
PDB entry 8xga 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:
  • not assigned
Biological process:
  • not assigned
Cellular component:
  • not assigned

Structure analysis Details

Assembly composition:
monomeric (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-192687 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Glutaminyl-peptide cyclotransferase-like protein Chains: A, B, C, D, E, F, G, H, I, J, K
Molecule details ›
Chains: A, B, C, D, E, F, G, H, I, J, K
Length: 313 amino acids
Theoretical weight: 34.99 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli BL21(DE3)
UniProt:
  • Canonical: Q9NXS2 (Residues: 70-382; Coverage: 82%)
Gene name: QPCTL
Sequence domains: Peptidase family M28

Ligands and Environments

2 bound ligands:
Ligand ZN 11 x ZN
Ligand A1D47 11 x A1D47
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: SSRF BEAMLINE BL19U1
Spacegroup: P21
Unit cell:
a: 125.689Å b: 108.008Å c: 159.816Å
α: 90° β: 104.59° γ: 90°
R-values:
R R work R free
0.202 0.199 0.28
Expression system: Escherichia coli BL21(DE3)

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