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Rice OS3BGLU6 E178Q with covalent glucosyl moiety from P-nitrophenyl glucopyranoside.

Analyse Rice OS3BGLU6 E178Q with covalent glucosyl moiety from P-nitrophenyl… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
3WBA
Type
protein
Length
478 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Beta-glucosidase 6
EC
3.2.1.21
UniProt
Q8L7J2
Ligands
GLC
Pockets
3 · best druggability 0.74

Structure

x-ray diffraction · 1 distinct chain · 45% helix, 17% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
ABeta-glucosidase 6 (EC 3.2.1.21)protein47845% helix, 17% strandQ8L7J2

Ligands and binding sites

  • GLC · alpha-D-glucopyranose · sugar · chains A
  • GOL · Glycerol · additive · 5 copies · chains A

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
16240.740.8057GLC, GOL
21050.370.7417empty
3700.350.7719GOL

Modifications

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

Compared structures

  • 3WBA · Rice Os3BGlu6 E178Q with Covalent Glucosyl Moiety from p-nitrophenyl glucopyranoside. · the same entry in another collection · chain A against A, TM-score 1.00
  • Q8L7J2 · AlphaFold monomer V2.0 prediction for beta-glucosidase 6 (Q8L7J2) · a predicted model of the same protein · chain A against A, TM-score 1.00

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