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Photorhabdus laumondii lectin PLL2 in complex with O-methylated pgl-1- derived disaccharide

Analyse Photorhabdus laumondii lectin PLL2 in complex with O-methylated pgl-1- derived… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
6RGG
Type
protein
Length
679 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Lectin PLL2 from photorhabdus laumondii
UniProt
Q7N8I8
Ligands
K3Q, 7CV, NA
Pockets
3 · best druggability 0.81

Structure

x-ray diffraction · 2 distinct chains · 0% helix, 47% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
ALectin PLL2 from photorhabdus laumondiiprotein3400% helix, 46% strandQ7N8I8
BLectin PLL2 from photorhabdus laumondiiprotein3390% helix, 48% strandQ7N8I8

Ligands and binding sites

  • K3Q · 3,6-O-dimethyl-D-glucose · ligand · 6 copies · chains A, B
  • 7CV · 6-deoxy-2,3-di-O-methyl-alpha-L-mannopyranose · ligand · 2 copies · chains A, B
  • NA · Sodium ion · metal · 5 copies · chains A, B
  • EDO · 1,2-ethanediol · additive · chains B

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
14860.810.8840empty
25150.800.8643empty
35160.670.7876empty

Interfaces

1 interface between chains.

  • A–B · 1089 Ų buried · 14 hydrogen bonds · protein-protein

Compared structures

  • 6RGG · Photorhabdus laumondii lectin PLL2 in complex with O-methylated PGL-1-derived disaccharide · the same entry in another collection · chain A against A, TM-score 1.00

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