Structure of the lecb lectin from pseudomonas aeruginosa strain PAO1 in complex with lewis X tetrasaccharide

Structure

x-ray diffraction · 1 distinct chain · 0% helix, 71% strand (DSSP).

Ligands and binding sites

• NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose · sugar · 4 copies · chains D, C, A, B
• FUC · alpha-L-fucopyranose · sugar · 4 copies · chains D, C, A, B
• GAL · beta-D-galactopyranose · sugar · 4 copies · chains D, C, A, B
• CA · Calcium ion · metal · 8 copies · chains D, C, A, B
• SO4 · Sulfate ion · ion · 2 copies · chains D, C
• EDO · 1,2-ethanediol · additive · 8 copies · chains D, A, B, C

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

Pockets

2 pockets found on a 1 Å grid, 0 with a druggability of 0.5 or more.

Interfaces

6 interfaces between chains.

• D–C · 1349 Ų buried · 21 hydrogen bonds · protein-protein
• A–B · 1347 Ų buried · 19 hydrogen bonds · protein-protein
• D–A · 522 Ų buried · 10 hydrogen bonds · protein-protein
• B–C · 520 Ų buried · 11 hydrogen bonds · protein-protein
• A–C · 222 Ų buried · 2 hydrogen bonds · protein-protein

Compared structures

• 6R35 · Structure of the LecB lectin from Pseudomonas aeruginosa strain PAO1 in complex with… · the same entry in another collection · chain D against D, 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 Q9HYN5
• Elsewhere: RCSB PDB 6R35 · PDBe 6R35 · UniProt Q9HYN5