6i6x

X-ray diffraction
2.39Å resolution

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

Released:

Function and Biology Details

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

Structure analysis Details

Assembly composition:
monomeric (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-152929 (preferred)
Entry contents:
2 distinct polypeptide molecules
Macromolecules (5 distinct):
Alpha-L-iduronidase Chain: A
Molecule details ›
Chain: A
Length: 627 amino acids
Theoretical weight: 70.08 KDa
Source organism: Homo sapiens
UniProt:
  • Canonical: P35475 (Residues: 27-653; Coverage: 100%)
Gene name: IDUA
Sequence domains:
Structure domains:
Alpha-L-iduronidase Chain: B
Molecule details ›
Chain: 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
Carbohydrate polymer : NEW Components: NAG, BMA, MAN
Carbohydrate polymer : NEW Components: NAG, BMA, MAN
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: DIAMOND BEAMLINE I03
Spacegroup: R3
Unit cell:
a: 259.184Å b: 259.184Å c: 71.01Å
α: 90° β: 90° γ: 120°
R-values:
R R work R free
0.192 0.191 0.216