MolNFT v1 · #153434 · protein

Crystal structure of a beta-N-acetylhexosaminidase

6JEB: “Crystal structure of a beta-N-acetylhexosaminidase”. X-ray diffraction, 2 ligands (ACM, ZN), 2 pockets (best druggability 0.55). MolNFT v1 #153434 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 6JEB
Type: protein
Length: 469 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Beta-N-acetylhexosaminidase
EC: 3.2.1.52
UniProt: B2UP57
Ligands: ACM, ZN
Pockets: 2 · best druggability 0.55

Structure

x-ray diffraction · 1 distinct chain · 37% helix, 18% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Beta-N-acetylhexosaminidase (EC 3.2.1.52)	protein	469	37% helix, 18% strand	B2UP57

Ligands and binding sites

ACM · Acetamide · ligand · chains A
ZN · Zinc ion · metal · 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, 1 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	184	0.55	0.79	31	ACM
2	86	0.37	0.75	14	empty

Compared structures

6JEB · crystal structure of a beta-N-acetylhexosaminidase · the same entry in another collection · chain A against A, TM-score 1.00
B2UP57 · AlphaFold monomer V2.0 prediction for beta-hexosaminidase AMUC_2018 (B2UP57) · a predicted model of the same protein · chain A against A, TM-score 0.99

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 B2UP57
Elsewhere: RCSB PDB 6JEB · PDBe 6JEB · UniProt B2UP57

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