Fucosylated linear peptide FLN65 bound to the fucose binding lectin lecb pa-iil from pseudomonas aeruginosa at 1.5 ångström resolution

Structure

x-ray diffraction · 2 distinct chains · 6% helix, 65% strand (DSSP).

Ligands and binding sites

• ZDC · 3,7-anhydro-2,8-dideoxy-L-glycero-D-gluco-octonic acid · sugar · 8 copies · chains A, B, I, J, C, D, K, L, E, F, M, N, G, H, O, P
• CA · Calcium ion · metal · 16 copies · chains A, B, C, D, E, F, G, H
• NH2 · Amino group · ion · 8 copies · chains I, J, K, L, M, N, O, P

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

Pockets

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

Interfaces

23 interfaces between chains.

• A–B · 1323 Ų buried · 24 hydrogen bonds · protein-protein
• E–F · 1321 Ų buried · 21 hydrogen bonds · protein-protein
• C–D · 1313 Ų buried · 23 hydrogen bonds · protein-protein
• G–H · 1307 Ų buried · 22 hydrogen bonds · protein-protein
• B–C · 523 Ų buried · 11 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 8 glycan (glycosylation).

Compared structures

• 7NEF · Fucosylated linear peptide Fln65 bound to the fucose binding lectin LecB PA-IIL from… · 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 A0A069Q9V4
• Elsewhere: RCSB PDB 7NEF · PDBe 7NEF · UniProt A0A069Q9V4