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MolNFT v1 · #162266 · protein

Endo-levanase BT1760 mutant E221A from bacteroides thetaiotaomicron complexed with levantetraose

6R3U · Glycoside hydrolase family 32: “Endo-levanase BT1760 mutant E221A from bacteroides thetaiotaomicron complexed with levantetraose”. X-ray diffraction, 2 ligands (FRU, ZN), 3 pockets (best druggability 0.61). MolNFT v1 #162266 on…

PDB
6R3U
Type
protein
Length
495 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Glycoside hydrolase family 32
UniProt
Q8A6W6
Ligands
FRU, ZN
Pockets
3 · best druggability 0.61

Structure

x-ray diffraction · 1 distinct chain · 4% helix, 49% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AGlycoside hydrolase family 32protein4954% helix, 49% strandQ8A6W6

Ligands and binding sites

  • FRU · beta-D-fructofuranose · sugar · 4 copies · chains A
  • ZN · Zinc ion · metal · 2 copies · chains A
  • GOL · Glycerol · additive · 3 copies · chains A

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

Pockets

3 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
12780.610.7928GOL
21700.510.7822FRU
3510.260.7415empty

Compared structures

  • 6R3U · Endo-levanase BT1760 mutant E221A from Bacteroides thetaiotaomicron complexed with… · the same entry in another collection · chain A against A, TM-score 1.00

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