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MolNFT v1 · #65119 · protein

Crystal structure of a rice OS3BGLU6 beta-glucosidase

3GNO · OS03G0212800 protein: “Crystal structure of a rice OS3BGLU6 beta-glucosidase”. X-ray diffraction, 3 pockets (best druggability 0.75). MolNFT v1 #65119 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB
3GNO
Type
protein
Length
478 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
OS03G0212800 protein
EC
3.2.1.21
UniProt
Q8L7J2
Pockets
3 · best druggability 0.75

Structure

x-ray diffraction · 1 distinct chain · 44% helix, 17% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AOS03G0212800 protein (EC 3.2.1.21)protein47844% helix, 17% strandQ8L7J2

Ligands and binding sites

  • GOL · Glycerol · additive · 6 copies · chains A
  • TRS · 2-amino-2-hydroxymethyl-propane-1,3-diol · additive · 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
16260.750.8152TRS
21040.390.7517empty
3810.360.7625GOL

Modifications

Observed in the structure: 1 disulfide (disulfide).

Compared structures

  • 3GNO · Crystal Structure of a Rice Os3BGlu6 Beta-Glucosidase · 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 0.99

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