Darb fom B. subtilis in complex with C-di-AMP

Structure

x-ray diffraction · 2 distinct chains · 40% helix, 28% strand (DSSP).

Ligands and binding sites

• 2BA · (2r,3r,3as,5r,7ar,9r,10r,10as,12r,14ar)-2,9-bis(6-amino-9H-purin-9-yl)octahydro-2H,7H-difuro[3,2-D:3', 2'-J][1,3,7,9,2,8 ]tetraoxadiphosphacyclododecine-3,5, 10,12-tetrol 5,12-dioxide · ligand · 2 copies · chains A, B
• CA · Calcium ion · metal · chains A
• CL · Chloride ion · ion · chains A, B
• GOL · Glycerol · additive · chains A, B

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

Pockets

1 pocket found on a 1 Å grid, 1 with a druggability of 0.5 or more.

Interfaces

1 interface between chains.

• A–B · 1452 Ų buried · 12 hydrogen bonds · protein-protein

Compared structures

• 6YJA · DarB fom B. subtilis in complex with c-di-AMP · the same entry in another collection · chain A against A, TM-score 1.00
• O31698 · AlphaFold monomer V2.0 prediction for cbs domain-containing protein ykul (O31698) · a predicted model of the same protein · chain B against A, TM-score 0.98

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 O31698
• Elsewhere: RCSB PDB 6YJA · PDBe 6YJA · UniProt O31698