Structure of the complex between btub and colicin E3 receptor binding domain

Structure

x-ray diffraction · 2 distinct chains · 19% helix, 47% strand (DSSP).

Ligands and binding sites

• GP1 · 2-amino-2-deoxy-1-O-phosphono-alpha-D-glucopyranose · ligand · 2 copies · chains A
• LIM · 3-oxo-pentadecanoic acid · ligand · 2 copies · chains A
• AAE · Acetoacetic acid · ligand · chains A
• GOL · Glycerol · additive · 8 copies · chains A
• LDA · Lauryl dimethylamine-N-oxide · additive · 7 copies · chains A

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

Pockets

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

Interfaces

1 interface between chains.

• A–B · 1296 Ų buried · 12 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 1 covalent (additive adduct).

Compared structures

• 1UJW · Structure of the complex between BtuB and Colicin E3 Receptor binding domain · the same entry in another collection · chain A against A, TM-score 1.00
• P06129 · AlphaFold monomer V2.0 prediction for vitamin B12 transporter btub (P06129) · a predicted model of the same protein · chain A against A, TM-score 0.98
• P00646 · AlphaFold monomer V2.0 prediction for colicin-E3 (P00646) · a predicted model of the same protein · chain B against A, TM-score 0.94

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 P06129
• Every structure of UniProt P00646
• Elsewhere: RCSB PDB 1UJW · PDBe 1UJW · UniProt P06129 · UniProt P00646