› 7zxw

X-ray diffraction
2.25Å resolution

Catalytic domain of UDP-Glucose Glycoprotein Glucosyltransferase from Chaetomium thermophilum in complex with the 5-[(morpholin-4-yl)methyl]quinolin-8-ol inhibitor

Released:
DOI: 10.2210/pdb7zxw/pdb
PDB entry 7zxw coloured by chain, front view.
PDB entry 7zxw coloured by chain, side view.
PDB entry 7zxw coloured by chain, top view.
Source organism: Chaetomium thermophilum var. thermophilum DSM 1495
Primary publication:
Crystal polymorphism in fragment-based lead discovery of ligands of the catalytic domain of UGGT, the glycoprotein folding quality control checkpoint.
Caputo AT, Ibba R, Le Cornu JD, Darlot B, Hensen M, Lipp CB, Marcianò G, Vasiljević S, Zitzmann N, Roversi P
OpenAccess logo Front Mol Biosci 9 960248 (2022)
PMID: 36589243

Function and Biology Details

Biochemical function:
Biological process:
Cellular component:
  • not assigned
Sequence domains:

Structure analysis Details

Assembly composition:
monomeric (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-124057 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecules (2 distinct):
UDP-glucose-glycoprotein glucosyltransferase-like protein Chain: A
Molecule details ›
Chain: A
Length: 295 amino acids
Theoretical weight: 35.06 KDa
Source organism: Chaetomium thermophilum var. thermophilum DSM 1495
Expression system: Homo sapiens
UniProt:
  • Canonical: G0SB58 (Residues: 1191-1473; Coverage: 19%)
Gene name: CTHT_0048990
Sequence domains: Glucosyltransferase 24

Ligands and Environments

Carbohydrate polymer : NEW Components: NAG, BMA
Carbohydrate polymer
4 bound ligands:
Ligand CA 1 x CA
Ligand UPG 1 x UPG
Ligand DMS 5 x DMS
Ligand JM3 1 x JM3
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: DIAMOND BEAMLINE I04-1
Spacegroup: R3
Unit cell:
a: 118.009Å b: 118.009Å c: 68.373Å
α: 90° β: 90° γ: 120°
R-values:
R R work R free
0.205 0.202 0.24
Expression system: Homo sapiens

Quick links

Citations

2 citation in other articles

A quinolin-8-ol sub-millimolar inhibitor of UGGT, the ER glycoprotein folding quality control checkpoint.
Guay et al. (2023)
1 more

1 mention without citation

Crystal polymorphism in fragment-based lead discovery of ligands of the catalytic domain of UGGT, the glycoprotein folding quality control checkpoint.
Caputo et al. (2022)