› 4kgj

X-ray diffraction
2.99Å resolution

Crystal structure of human alpha-L-iduronidase complex with 5-fluoro-alpha-L-idopyranosyluronic acid fluoride

Released:
DOI: 10.2210/pdb4kgj/pdb
PDB entry 4kgj coloured by chain, front view.
PDB entry 4kgj coloured by chain, side view.
PDB entry 4kgj coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Insights into mucopolysaccharidosis I from the structure and action of α-L-iduronidase.
Bie H, Yin J, He X, Kermode AR, Goddard-Borger ED, Withers SG, James MN
Nat Chem Biol 9 739-45 (2013)
PMID: 24036510

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 (4 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
Expression system: Arabidopsis thaliana
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
Carbohydrate polymer : NEW Components: NAG, BMA, MAN
Carbohydrate polymer
Carbohydrate polymer : NEW Components: NAG, BMA, MAN
Carbohydrate polymer
5 bound ligands:
Ligand NAG 2 x NAG
Ligand GOL 7 x GOL
Ligand IDF 2 x IDF
Ligand TLA 2 x TLA
Ligand CL 1 x CL
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: SSRL BEAMLINE BL11-1
Spacegroup: R3
Unit cell:
a: 259.343Å b: 259.343Å c: 71.379Å
α: 90° β: 90° γ: 120°
R-values:
R R work R free
0.18 0.178 0.227
Expression system: Arabidopsis thaliana

Quick links

Citations

7 review citations

Characteristics and Therapeutic Potential of Human Amnion-Derived Stem Cells.
Liu et al. (2021)
6 more

2 mentions without citation

Dissecting conformational contributions to glycosidase catalysis and inhibition.
Speciale et al. (2014)
1 more