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Lectin from ralstonia solanacearum complexed with xyloglucan fragment

Analyse Lectin from ralstonia solanacearum complexed with xyloglucan fragment in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
2BS6
Type
protein
Length
266 residues
Chains
3
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Lectin
UniProt
Q8XXK6
Ligands
FUC, XYS, GAL
Pockets
1 · best druggability 0.74

Structure

x-ray diffraction · 2 distinct chains · 0% helix, 68% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
A, CLectinprotein890% helix, 69% strandQ8XXK6
BLectinprotein880% helix, 68% strandQ8XXK6

Ligands and binding sites

  • FUC · alpha-L-fucopyranose · sugar · 6 copies · chains A, B, C
  • XYS · alpha-D-xylopyranose · sugar · 3 copies · chains A, B, C
  • GAL · beta-D-galactopyranose · sugar · 3 copies · chains A, B, C
  • GOL · Glycerol · additive · 6 copies · chains A, C, B

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

Pockets

1 pocket found on a 1 Å grid, 1 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
17260.740.8078GOL

Interfaces

3 interfaces between chains.

  • A–B · 734 Ų buried · 8 hydrogen bonds · protein-protein
  • A–C · 723 Ų buried · 6 hydrogen bonds · protein-protein
  • B–C · 701 Ų buried · 6 hydrogen bonds · protein-protein

Compared structures

  • 2BS6 · Lectin from ralstonia solanacearum complexed with xyloglucan fragment · the same entry in another collection · chain A against A, TM-score 1.00

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