Photorhabdus asymbiotica lectin (phl) in complex with synthetic C- fucoside

Structure

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

Ligands and binding sites

• DSQ · (2~{S},3~{S},4~{R},5~{S},6~{S})-2-[[(2~{R},3~{S},4~{R}, 6~{R})-2-(hydroxymethyl)-3,6-bis(oxidanyl)oxan-4-yl]methyl]-6-methyl-oxane-3,4,5-triol · ligand · 11 copies · chains A, B
• NA · Sodium ion · metal · 2 copies · chains A, B
• CL · Chloride ion · ion · chains A

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

Pockets

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

Interfaces

1 interface between chains.

• A–B · 1128 Ų buried · 19 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 1 disulfide (disulfide).

Compared structures

• 6FHX · Photorhabdus asymbiotica lectin (PHL) in complex with synthetic C-fucoside · the same entry in another collection · chain A against A, TM-score 1.00

Analyse

• Open in the research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides and crosslinks on the 3D structure
• Every structure of UniProt C7BLE4
• Elsewhere: RCSB PDB 6FHX · PDBe 6FHX · UniProt C7BLE4