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Crystal structure of rice BGLU1 E386A mutant

Analyse Crystal structure of rice BGLU1 E386A mutant in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
3SCP
Type
protein
Length
944 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Beta-glucosidase 7
EC
3.2.1.21
UniProt
Q75I93
Ligands
ZN, SO4
Pockets
4 · best druggability 0.69

Structure

x-ray diffraction · 1 distinct chain · 45% helix, 16% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
A, BBeta-glucosidase 7 (EC 3.2.1.21)protein47245% helix, 16% strandQ75I93

Ligands and binding sites

  • ZN · Zinc ion · metal · chains A, B
  • SO4 · Sulfate ion · ion · 2 copies · chains A, B
  • MES · 2-(N-morpholino)-ethanesulfonic acid · additive · 2 copies · chains A, B
  • GOL · Glycerol · additive · 2 copies · chains A, B

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

Pockets

4 pockets found on a 1 Å grid, 4 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
13670.690.8241GOL
23650.680.8141GOL
33200.570.7634empty
43130.550.7536empty

Interfaces

1 interface between chains.

  • A–B · 606 Ų buried · 5 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 2 disulfide (disulfide).

Compared structures

  • 3SCP · Crystal Structure of Rice BGlu1 E386A Mutant · the same entry in another collection · chain A against A, TM-score 1.00
  • Q75I93 · AlphaFold monomer V2.0 prediction for beta-glucosidase 7 (Q75I93) · a predicted model of the same protein · chain B against A, TM-score 1.00

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