Balhimycin in complex with D-ala-D-ala

Structure

x-ray diffraction · 1 distinct chain · 0% helix, 11% strand (DSSP).

Ligands and binding sites

• DVC · (2R,4S,6S)-4-azanyl-4,6-dimethyl-oxane-2,5,5-triol · ligand · 4 copies · chains A, D, B, C
• BGC · beta-D-glucopyranose · sugar · 4 copies · chains A, D, B, C
• CIT · Citric acid · additive · 5 copies · chains A, C, D, B
• MPD · (4S)-2-methyl-2,4-pentanediol · additive · 2 copies · chains A, D, B, C

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

Interfaces

6 interfaces between chains.

• B–D · 246 Ų buried · 4 hydrogen bonds · protein-protein
• A–C · 239 Ų buried · 4 hydrogen bonds · protein-protein
• A–D · 196 Ų buried · 9 hydrogen bonds · protein-protein
• B–C · 195 Ų buried · 9 hydrogen bonds · protein-protein
• C–D · 29 Ų buried · 0 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 24 modified, 8 d-amino, 4 covalent, 4 glycan (nonstandard, D-amino acid, covalent ligand, glycosylation).

Compared structures

• 1HHU · Balhimycin in complex with D-Ala-D-Ala · 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
• Elsewhere: RCSB PDB 1HHU · PDBe 1HHU