Deglucobalhimycin in complex with cell wall pentapeptide

Structure

x-ray diffraction · 3 distinct chains · 0% helix, 20% strand (DSSP).

Ligands and binding sites

• DVC · (2R,4S,6S)-4-azanyl-4,6-dimethyl-oxane-2,5,5-triol · ligand · 3 copies · chains A, B, C, E
• FGA · Gamma-D-glutamic acid · ligand · 2 copies · chains A, D, C, F
• PGR · R-1,2-propanediol · additive · 4 copies · chains A, B, E, C

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

Interfaces

8 interfaces between chains.

• A–C · 267 Ų buried · 8 hydrogen bonds · protein-protein
• B–E · 260 Ų buried · 5 hydrogen bonds · protein-protein
• A–D · 240 Ų buried · 6 hydrogen bonds · protein-protein
• C–F · 225 Ų buried · 6 hydrogen bonds · protein-protein
• B–C · 189 Ų buried · 7 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 19 modified, 7 d-amino, 5 covalent (nonstandard, D-amino acid, covalent ligand).

Compared structures

• 1HHZ · Deglucobalhimycin in complex with cell wall pentapeptide · 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 1HHZ · PDBe 1HHZ