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MolNFT v1 · #93279 · protein

Chimeric family 1 beta-glucosidase made with non-contiguous schema

4GXP · Beta-glucosidase chimeric protein: “Chimeric family 1 beta-glucosidase made with non-contiguous schema”. X-ray diffraction, 18 pockets (best druggability 0.88). MolNFT v1 #93279 on GenesisL1: 3D structure, binding sites and pockets…

PDB
4GXP
Type
protein
Length
1,366 residues
Chains
3
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Beta-glucosidase chimeric protein
EC
3.2.1.21
UniProt
Q08638, O93785
Pockets
18 · best druggability 0.88

Structure

x-ray diffraction · 2 distinct chains · 41% helix, 15% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
A, BBeta-glucosidase chimeric protein (EC 3.2.1.21)protein45643% helix, 16% strandQ08638, O93785
CBeta-glucosidase chimeric protein (EC 3.2.1.21)protein45439% helix, 13% strandQ08638, O93785

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
111820.880.89144empty
2900.780.9827empty
31800.750.9142empty
43680.730.8454empty
54850.720.8150empty

Interfaces

2 interfaces between chains.

  • A–B · 822 Ų buried · 11 hydrogen bonds · protein-protein
  • B–C · 693 Ų buried · 9 hydrogen bonds · protein-protein

Compared structures

  • 4GXP · Chimeric Family 1 beta-glucosidase made with non-contiguous SCHEMA · the same entry in another collection · chain A against A, TM-score 1.00
  • Q08638 · AlphaFold monomer V2.0 prediction for beta-glucosidase a (Q08638) · a predicted model of the same protein · chain B against A, TM-score 0.95

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