GL1X · GenesisL1 explorer

MolNFT v1 · #86336 · protein

Family 1 6-phospho-beta-D glycosidase from streptococcus pyogenes

4B3K · Beta-glucosidase: “Family 1 6-phospho-beta-D glycosidase from streptococcus pyogenes”. X-ray diffraction, 20 pockets (best druggability 0.75). MolNFT v1 #86336 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB
4B3K
Type
protein
Length
2,766 residues
Chains
6
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Beta-glucosidase
EC
3.2.1.21, 3.2.1.86
UniProt
Q99YP9
Pockets
20 · best druggability 0.75

Structure

x-ray diffraction · 1 distinct chain · 46% helix, 17% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
A, B, C, D, E, FBeta-glucosidase (EC 3.2.1.21, 3.2.1.86)protein46146% helix, 17% strandQ99YP9

Pockets

20 pockets found on a 1 Å grid, 12 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
16190.750.8156empty
25680.750.8254empty
36260.750.8152empty
46160.750.8158empty
56010.740.8157empty

Interfaces

11 interfaces between chains.

  • C–D · 758 Ų buried · 13 hydrogen bonds · protein-protein
  • A–B · 752 Ų buried · 9 hydrogen bonds · protein-protein
  • E–F · 731 Ų buried · 8 hydrogen bonds · protein-protein
  • C–F · 215 Ų buried · 2 hydrogen bonds · protein-protein
  • A–E · 191 Ų buried · 2 hydrogen bonds · protein-protein

Compared structures

  • 4B3K · Family 1 6-phospho-beta-D glycosidase from Streptococcus pyogenes · the same entry in another collection · chain A against A, TM-score 1.00

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