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4,6-alpha-glucanotransferase gtfb from lactobacillus reuteri 121

Analyse 4,6-alpha-glucanotransferase gtfb from lactobacillus reuteri 121 in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
5JBD
Type
protein
Length
1,709 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Inactive glucansucrase
EC
2.4.1.5
UniProt
Q5SBM0
Ligands
CA, SO4
Pockets
16 · best druggability 0.86

Structure

x-ray diffraction · 2 distinct chains · 30% helix, 18% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AInactive glucansucrase (EC 2.4.1.5)protein85430% helix, 18% strandQ5SBM0
BInactive glucansucrase (EC 2.4.1.5)protein85530% helix, 18% strandQ5SBM0

Ligands and binding sites

  • CA · Calcium ion · metal · 2 copies · chains A, B
  • SO4 · Sulfate ion · ion · 4 copies · chains A, B
  • GOL · Glycerol · additive · 9 copies · chains A, B
  • ACT · Acetate ion · additive · 5 copies · chains A, B
  • PGE · Triethylene glycol · additive · chains A

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

Pockets

16 pockets found on a 1 Å grid, 8 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
110000.860.87110GOL
29640.850.87112GOL
31350.660.8824empty
4770.620.9024empty
52480.590.8049empty

Interfaces

1 interface between chains.

  • A–B · 1155 Ų buried · 26 hydrogen bonds · protein-protein

Compared structures

  • 5JBD · 4,6-alpha-glucanotransferase GTFB from Lactobacillus reuteri 121 · the same entry in another collection · chain A against A, TM-score 1.00

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