› 6gbx

X-ray diffraction
1.72Å resolution

Crystal structure of human glutaminyl cyclase variant Y115E-Y117E in complex with SEN177

Released:
DOI: 10.2210/pdb6gbx/pdb
PDB entry 6gbx coloured by chain, front view.
PDB entry 6gbx coloured by chain, side view.
PDB entry 6gbx coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
The structure of the human glutaminyl cyclase-SEN177 complex indicates routes for developing new potent inhibitors as possible agents for the treatment of neurological disorders.
Pozzi C, Di Pisa F, Benvenuti M, Mangani S
J Biol Inorg Chem 23 1219-1226 (2018)
PMID: 30132075

Function and Biology Details

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

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 Chains: A, B, C
Molecule details ›
Chains: A, B, C
Length: 329 amino acids
Theoretical weight: 37.49 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
Structure domains: Zn peptidases

Ligands and Environments

4 bound ligands:
Ligand ZN 3 x ZN
Ligand SO4 3 x SO4
Ligand S77 3 x S77
Ligand EDO 20 x EDO
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: DIAMOND BEAMLINE I04-1
Spacegroup: C2
Unit cell:
a: 86.14Å b: 149.81Å c: 95.98Å
α: 90° β: 97.18° γ: 90°
R-values:
R R work R free
0.159 0.158 0.183
Expression system: Escherichia coli BL21(DE3)

Quick links

Citations

2 review citations

Development and evolution of human glutaminyl cyclase inhibitors (QCIs): an alternative promising approach for disease-modifying treatment of Alzheimer's disease.
Chen et al. (2023)
1 more