› 7coz

X-ray diffraction
1.85Å resolution

Crystal Structure of double mutant Y115E Y117E human Secretory Glutaminyl Cyclase in complex with LSB-41

Released:
DOI: 10.2210/pdb7coz/pdb
PDB entry 7coz coloured by chain, front view.
PDB entry 7coz coloured by chain, side view.
PDB entry 7coz coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Piperidine-4-carboxamide as a new scaffold for designing secretory glutaminyl cyclase inhibitors.
Dileep KV, Sakai N, Ihara K, Kato-Murayama M, Nakata A, Ito A, Sivaraman DM, Shin JW, Yoshida M, Shirouzu M, Zhang KYJ
Int J Biol Macromol 170 415-423 (2021)
PMID: 33373636

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: 327 amino acids
Theoretical weight: 37.33 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli 'BL21-Gold(DE3)pLysS AG'
UniProt:
  • Canonical: Q16769 (Residues: 35-361; Coverage: 98%)
Gene name: QPCT
Sequence domains: Peptidase family M28

Ligands and Environments

4 bound ligands:
Ligand ZN 3 x ZN
Ligand SO4 3 x SO4
Ligand Q39 3 x Q39
Ligand EDO 21 x EDO
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: SPRING-8 BEAMLINE BL26B2
Spacegroup: C2
Unit cell:
a: 86.229Å b: 149.366Å c: 95.377Å
α: 90° β: 97.34° γ: 90°
R-values:
R R work R free
0.198 0.196 0.236
Expression system: Escherichia coli 'BL21-Gold(DE3)pLysS AG'

Quick links

Citations

1 review citation

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 other article