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Crystal structure of human alpha-L-iduronidase in the P212121 form

Analyse Crystal structure of human alpha-L-iduronidase in the P212121 form in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB: 4OBS
Type: protein
Length: 594 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Alpha-L-iduronidase
EC: 3.2.1.76
UniProt: P35475
Ligands: NAG, MAN, BMA, CL, SO4
Pockets: 5 · best druggability 0.56

Structure

x-ray diffraction · 1 distinct chain · 27% helix, 31% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Alpha-L-iduronidase (EC 3.2.1.76)	protein	594	27% helix, 31% strand	P35475

Ligands and binding sites

NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose · sugar · 4 copies · chains A
MAN · alpha-D-mannopyranose · sugar · 3 copies · chains A
BMA · beta-D-mannopyranose · sugar · chains A
CL · Chloride ion · ion · chains A
SO4 · Sulfate ion · ion · chains A
GOL · Glycerol · additive · 6 copies · chains A

Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.

Pockets

5 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	165	0.56	0.81	24	empty
2	146	0.47	0.77	26	empty
3	128	0.45	0.78	32	empty
4	92	0.42	0.78	20	GOL
5	100	0.36	0.74	23	empty

Modifications

Observed in the structure: 3 glycan, 1 disulfide (N-glycosylation, disulfide).

Compared structures

4OBS · Crystal structure of human alpha-L-iduronidase in the P212121 form · the same entry in another collection · chain A against A, TM-score 1.00
P35475 · AlphaFold monomer V2.0 prediction for alpha-L-iduronidase (P35475) · a predicted model of the same protein · chain A against A, TM-score 1.00

Analyse

Open in the research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides and crosslinks on the 3D structure
Every structure of UniProt P35475
Elsewhere: RCSB PDB 4OBS · PDBe 4OBS · UniProt P35475

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