MolNFT v1 · #152656 · protein

Structural insights of idursulfase beta

6IOZ · Iduronate 2-sulfatase: “Structural insights of idursulfase beta”. X-ray diffraction, 3 ligands (NAG, FUC, CA), 4 pockets (best druggability 0.56). MolNFT v1 #152656 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 6IOZ
Type: protein
Length: 501 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Iduronate 2-sulfatase
EC: 3.1.6.13
UniProt: P22304
Ligands: NAG, FUC, CA
Pockets: 4 · best druggability 0.56

Structure

x-ray diffraction · 1 distinct chain · 30% helix, 20% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Iduronate 2-sulfatase (EC 3.1.6.13)	protein	501	30% helix, 20% strand	P22304

Ligands and binding sites

NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose · sugar · 12 copies · chains A
FUC · alpha-L-fucopyranose · sugar · 2 copies · chains A
CA · Calcium ion · metal · chains A

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

Pockets

4 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	320	0.56	0.76	39	empty
2	331	0.56	0.75	33	empty
3	180	0.49	0.77	36	empty
4	51	0.24	0.72	14	empty

Modifications

Observed in the structure: 7 glycan, 2 disulfide, 1 modified (N-glycosylation, disulfide, nonstandard).

Compared structures

6IOZ · Structural insights of idursulfase beta · the same entry in another collection · chain A against A, TM-score 1.00
P22304 · AlphaFold monomer V2.0 prediction for iduronate 2-sulfatase (P22304) · 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 P22304
Elsewhere: RCSB PDB 6IOZ · PDBe 6IOZ · UniProt P22304

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