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Beta-1,2-mannobiose phosphorylase from listeria innocua - beta-1,2- mannobiose complex

Analyse Beta-1,2-mannobiose phosphorylase from listeria innocua - beta-1,2- mannobiose… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
5B0R
Type
protein
Length
706 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
LIN0857 protein
UniProt
Q92DF6
Ligands
BMA, SO4
Pockets
6 · best druggability 0.76

Structure

x-ray diffraction · 1 distinct chain · 5% helix, 51% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
A, BLIN0857 proteinprotein3535% helix, 51% strandQ92DF6

Ligands and binding sites

  • BMA · beta-D-mannopyranose · sugar · 4 copies · chains A, B
  • SO4 · Sulfate ion · ion · 8 copies · chains A, B
  • GOL · Glycerol · additive · 4 copies · chains A, B
  • MES · 2-(N-morpholino)-ethanesulfonic acid · additive · 2 copies · chains A, B

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
14380.760.8552BMA, SO4
24160.760.8553BMA, SO4
31660.520.7821empty
41550.500.7821empty
5690.340.7619empty

Interfaces

1 interface between chains.

  • A–B · 1750 Ų buried · 25 hydrogen bonds · protein-protein

Compared structures

  • 5B0R · Beta-1,2-Mannobiose phosphorylase from Listeria innocua - beta-1,2-mannobiose complex · the same entry in another collection · chain B against B, TM-score 1.00
  • Q92DF6 · AlphaFold monomer V2.0 prediction for beta-1,2-mannobiose phosphorylase (Q92DF6) · a predicted model of the same protein · chain B against A, TM-score 0.99

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