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Crystal structure of beta-hexosaminidase from paenibacillus sp. TS12 in complex with nag-thiazoline.

Analyse Crystal structure of beta-hexosaminidase from paenibacillus sp. TS12 in complex… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB: 3SUR
Type: protein
Length: 504 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Beta-hexosaminidase
EC: 3.2.1.52
UniProt: D0VX21
Ligands: NGT, SO4
Pockets: 2 · best druggability 0.55

Structure

x-ray diffraction · 1 distinct chain · 33% helix, 18% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Beta-hexosaminidase (EC 3.2.1.52)	protein	504	33% helix, 18% strand	D0VX21

Ligands and binding sites

NGT · 3ar,5r,6s,7r,7ar-5-hydroxymethyl-2-methyl-5,6,7,7A-tetrahydro-3AH-pyrano[3,2-d]thiazole-6,7-diol · ligand · chains A
SO4 · Sulfate ion · ion · chains A

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

Pockets

2 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	65	0.55	0.88	16	NGT
2	161	0.52	0.79	28	empty

Modifications

Observed in the structure: 1 disulfide (disulfide).

Compared structures

3SUR · Crystal structure of beta-hexosaminidase from Paenibacillus sp. TS12 in complex with… · the same entry in another collection · chain A against A, TM-score 1.00

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Every structure of UniProt D0VX21
Elsewhere: RCSB PDB 3SUR · PDBe 3SUR · UniProt D0VX21

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