GL1X · GenesisL1 explorer

MolNFT v1 · #8030 · protein

B-glucosidase from streptomyces sp

1GON · Beta-glucosidase: “B-glucosidase from streptomyces sp”. X-ray diffraction, 2 ligands (HG, SO4), 5 pockets (best druggability 0.72). MolNFT v1 #8030 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB
1GON
Type
protein
Length
893 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Beta-glucosidase
UniProt
Q59976
Ligands
HG, SO4
Pockets
5 · best druggability 0.72

Structure

x-ray diffraction · 2 distinct chains · 42% helix, 15% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
ABeta-glucosidaseprotein44743% helix, 16% strandQ59976
BBeta-glucosidaseprotein44641% helix, 15% strandQ59976

Ligands and binding sites

  • HG · Mercury (II) ion · metal · 6 copies · chains A, B
  • SO4 · Sulfate ion · ion · 3 copies · chains A, B

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
14450.720.8237HG
24190.690.8138HG
3600.450.8315empty
4510.410.8214empty
5500.370.8017empty

Interfaces

1 interface between chains.

  • A–B · 1038 Ų buried · 5 hydrogen bonds · protein-protein

Compared structures

  • 1GON · b-glucosidase from Streptomyces sp · the same entry in another collection · chain A against A, TM-score 1.00

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