Complex of the fimh lectin with a C-linked naphtyl alpha-D-mannoside in soaked trigonal crystals at 2.40 a resolution

Structure

x-ray diffraction · 1 distinct chain · 6% helix, 53% strand (DSSP).

Ligands and binding sites

• Z47 · (2R,3S,4R,5S,6R)-2-(hydroxymethyl)-6-[3-(naphthalen-1-yl)propyl]oxane-3,4,5-triol · ligand · 2 copies · chains A, B
• NI · Nickel (II) ion · metal · 2 copies · chains A, 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, 1 with a druggability of 0.5 or more.

Interfaces

1 interface between chains.

• A–B · 539 Ų buried · 8 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 2 disulfide (disulfide).

Compared structures

• 5ABZ · Complex of the FimH lectin with a C-linked naphtyl alpha-D-mannoside in soaked trigonal… · the same entry in another collection · chain A against A, TM-score 1.00
• P08191 · AlphaFold monomer V2.0 prediction for type 1 fimbrin D-mannose specific adhesin (P08191) · a predicted model of the same protein · chain B against A, TM-score 0.82

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 P08191
• Elsewhere: RCSB PDB 5ABZ · PDBe 5ABZ · UniProt P08191