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MolNFT v1 · #144260 · protein

Eubacterium eligens beta-glucuronidase bound to UNC4917 glucuronic acid conjugate

6BO6 · Glycoside hydrolase family 2 candidate B-glucuronidase: “Eubacterium eligens beta-glucuronidase bound to UNC4917 glucuronic acid conjugate”. X-ray diffraction, 1 ligand (E0V), 5 pockets (best druggability 0.65). MolNFT v1 #144260 on…

PDB
6BO6
Type
protein
Length
493 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Glycoside hydrolase family 2 candidate B-glucuronidase
UniProt
C4Z6Z2
Ligands
E0V
Pockets
5 · best druggability 0.65

Structure

x-ray diffraction · 1 distinct chain · 21% helix, 27% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AGlycoside hydrolase family 2 candidate B-glucuronidaseprotein49321% helix, 27% strandC4Z6Z2

Ligands and binding sites

  • E0V · 4-(4-beta-D-glucopyranuronosylpiperazin-1-yl)-2,7-bis(methylamino)pyrido[3',2':4,5]thieno[3,2-d]pyrimidine · ligand · chains A

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
11550.650.8626E0V
22330.580.8042empty
31920.490.7625empty
4660.350.7714empty
5500.320.7715empty

Compared structures

  • 6BO6 · Eubacterium eligens beta-glucuronidase bound to UNC4917 glucuronic acid conjugate · the same entry in another collection · chain A against A, TM-score 1.00

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