› 8xgt

X-ray diffraction
2.81Å resolution

Crystal structure of human secretory glutaminyl cyclase in complex with (Z)-3-((1H-benzo[d]imidazol-5-yl)methylene)-4-hydroxyindolin-2-one

Released:
DOI: 10.2210/pdb8xgt/pdb
PDB entry 8xgt coloured by chain, front view.
PDB entry 8xgt coloured by chain, side view.
PDB entry 8xgt 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:
homo dodecamer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-245867 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Glutaminyl-peptide cyclotransferase Chains: A, B, C, D, E, F, G, H, I, J, K, L
Molecule details ›
Chains: A, B, C, D, E, F, G, H, I, J, K, L
Length: 329 amino acids
Theoretical weight: 37.56 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli BL21(DE3)
UniProt:
  • Canonical: Q16769 (Residues: 33-361; Coverage: 99%)
Gene name: QPCT
Sequence domains: Peptidase family M28

Ligands and Environments

2 bound ligands:
Ligand ZN 12 x ZN
Ligand A1D48 12 x A1D48
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: SSRF BEAMLINE BL19U1
Spacegroup: P212121
Unit cell:
a: 83.962Å b: 217.386Å c: 242.375Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.196 0.194 0.282
Expression system: Escherichia coli BL21(DE3)

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