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Apo structure of bacteroides uniformis beta-glucuronidase 1

Analyse Apo structure of bacteroides uniformis beta-glucuronidase 1 in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
6D1N
Type
protein
Length
1,158 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Beta-GALACTOSIDASE/BETA-glucuronidase
EC
3.2.1.31
UniProt
A0A174CQK8
Ligands
CL
Pockets
14 · best druggability 0.75

Structure

x-ray diffraction · 1 distinct chain · 20% helix, 33% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
A, BBeta-GALACTOSIDASE/BETA-glucuronidase (EC 3.2.1.31)protein57920% helix, 33% strandA0A174CQK8

Ligands and binding sites

  • CL · Chloride ion · ion · 2 copies · chains A, B
  • GOL · Glycerol · additive · 11 copies · chains A, B

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
18420.750.7960GOL
27750.740.7974empty
36910.720.7967empty
41290.640.8726GOL
51240.640.8725GOL

Interfaces

1 interface between chains.

  • A–B · 1214 Ų buried · 17 hydrogen bonds · protein-protein

Compared structures

  • 6D1N · Apo structure of Bacteroides uniformis Beta-glucuronidase 1 · the same entry in another collection · chain A against A, TM-score 1.00

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