› 4ywy

X-ray diffraction
1.95Å resolution

Crystal Structure of double mutant Y115E Y117E human Glutaminyl Cyclase in complex with inhibitor PBD-150

Released:
DOI: 10.2210/pdb4ywy/pdb
PDB entry 4ywy coloured by chain, front view.
PDB entry 4ywy coloured by chain, side view.
PDB entry 4ywy coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
The soluble Y115E-Y117E variant of human glutaminyl cyclase is a valid target for X-ray and NMR screening of inhibitors against Alzheimer disease.
DiPisa F, Pozzi C, Benvenuti M, Andreini M, Marconi G, Mangani S
Acta Crystallogr F Struct Biol Commun 71 986-92 (2015)
PMID: 26249687

Function and Biology Details

Reaction catalysed: 
L-glutaminyl-peptide = 5-oxoprolyl-peptide + NH(3)
Biochemical function:
Biological process:
  • not assigned
Cellular component:
  • not assigned
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: 361 amino acids
Theoretical weight: 40.86 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli
UniProt:
  • Canonical: Q16769 (Residues: 1-361; Coverage: 100%)
Gene name: QPCT
Sequence domains: Peptidase family M28
Structure domains: Zn peptidases

Ligands and Environments

5 bound ligands:
Ligand ZN 3 x ZN
Ligand PBD 3 x PBD
Ligand EDO 20 x EDO
Ligand SO4 5 x SO4
Ligand CL 1 x CL
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: DIAMOND BEAMLINE I04-1
Spacegroup: C2
Unit cell:
a: 86.429Å b: 149.54Å c: 96.21Å
α: 90° β: 96.82° γ: 90°
R-values:
R R work R free
0.166 0.164 0.211
Expression system: Escherichia coli

Quick links

Citations

1 citations in other articles

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 et al. (2018)

1 mention without citation

The soluble Y115E-Y117E variant of human glutaminyl cyclase is a valid target for X-ray and NMR screening of inhibitors against Alzheimer disease.
DiPisa et al. (2015)