› 6i6r

X-ray diffraction
2.02Å resolution

New Irreversible a-l-Iduronidase Inhibitors and Activity-Based Probes

Released:
DOI: 10.2210/pdb6i6r/pdb
PDB entry 6i6r coloured by chain, front view.
PDB entry 6i6r coloured by chain, side view.
PDB entry 6i6r coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
New Irreversible α-l-Iduronidase Inhibitors and Activity-Based Probes.
Artola M, Kuo CL, McMahon SA, Oehler V, Hansen T, van der Lienden M, He X, van den Elst H, Florea BI, Kermode AR, van der Marel GA, Gloster TM, Codée JDC, Overkleeft HS, Aerts JMFG
Chemistry 24 19081-19088 (2018)
PMID: 30307091

Function and Biology Details

Reaction catalysed: 
Hydrolysis of unsulfated alpha-L-iduronosidic linkages in dermatan sulfate
Biochemical function:
Biological process:
Cellular component:
  • not assigned
Sequence domains:

Structure analysis Details

Assembly composition:
monomeric (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-152929 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecules (2 distinct):
Alpha-L-iduronidase Chains: A, B
Molecule details ›
Chains: A, B
Length: 627 amino acids
Theoretical weight: 70.05 KDa
Source organism: Homo sapiens
UniProt:
  • Canonical: P35475 (Residues: 27-653; Coverage: 100%)
Gene name: IDUA
Sequence domains:
Structure domains:

Ligands and Environments

Carbohydrate polymer : NEW Components: NAG, BMA
Carbohydrate polymer
5 bound ligands:
Ligand H62 2 x H62
Ligand NAG 4 x NAG
Ligand GOL 3 x GOL
Ligand TLA 1 x TLA
Ligand CL 2 x CL
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: DIAMOND BEAMLINE I04
Spacegroup: P212121
Unit cell:
a: 206.86Å b: 69.89Å c: 93.69Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.214 0.213 0.24

Quick links

Citations

2 review citations

Plant Glycosides and Glycosidases: A Treasure-Trove for Therapeutics.
Kytidou et al. (2020)
1 more