Structure of bacterial DNA damage sensor protein with co-purified and co-crystallized ligand

Structure

x-ray diffraction · 1 distinct chain · 58% helix, 12% 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 · chains A, B

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

Pockets

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

Interfaces

1 interface between chains.

• A–B · 438 Ų buried · 13 hydrogen bonds · protein-protein

Compared structures

• 3C1Y · Structure of bacterial DNA damage sensor protein with co-purified and co-crystallized… · the same entry in another collection · chain A against A, TM-score 1.00
• Q9WY43 · AlphaFold monomer V2.0 prediction for DNA integrity scanning protein disa (Q9WY43) · a predicted model of the same protein · chain A against A, TM-score 0.96

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 Q9WY43
• Elsewhere: RCSB PDB 3C1Y · PDBe 3C1Y · UniProt Q9WY43