Periplasmic binding protein ceue complexed with a synthetic catalyst

Structure

x-ray diffraction · 1 distinct chain · 41% helix, 21% strand (DSSP).

Ligands and binding sites

• 95B · Azotochelin · ligand · 2 copies · chains A, C
• 9RT · 4-(aminomethyl)-~{N}-(pyridin-2-ylmethyl)benzenesulfonamide · ligand · 2 copies · chains A, C
• RIR · [(1,2,3,4,5-Eta)-1,2,3,4,5-Pentamethylcyclopentadienyl]iridium(III) · ligand · 2 copies · chains A, C
• 7PG · 2,5,8,11,14,17,20,23-octaoxapentacosan-25-ol · ligand · chains A, B
• IR · Iridium ion · metal · 6 copies · chains A, B, C
• FE · Fe (III) ion · metal · 3 copies · chains A, B, C
• PO4 · Phosphate ion · ion · 3 copies · chains A, C

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

Pockets

8 pockets found on a 1 Å grid, 6 with a druggability of 0.5 or more.

Interfaces

3 interfaces between chains.

• A–B · 557 Ų buried · 5 hydrogen bonds · protein-protein
• A–C · 549 Ų buried · 6 hydrogen bonds · protein-protein
• B–C · 287 Ų buried · 3 hydrogen bonds · protein-protein

Compared structures

• 5OD5 · Periplasmic binding protein CeuE complexed with a synthetic catalyst · 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 A0A1E7P069
• Elsewhere: RCSB PDB 5OD5 · PDBe 5OD5 · UniProt A0A1E7P069