Structure of the E. COLI antitoxin mqsa (YGIT/B3021) in complex with its gene promoter

Structure

x-ray diffraction · 3 distinct chains · 48% helix, 22% strand (DSSP).

Ligands and binding sites

• ZN · Zinc ion · metal · 2 copies · chains A, B
• GOL · Glycerol · additive · 2 copies · chains B, F, A, E

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

Pockets

6 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.

Interfaces

6 interfaces between chains.

• F–E · 1120 Ų buried · 104 hydrogen bonds · nucleic-nucleic
• A–B · 833 Ų buried · 13 hydrogen bonds · protein-protein
• A–E · 466 Ų buried · 7 hydrogen bonds · protein-nucleic
• B–F · 447 Ų buried · 5 hydrogen bonds · protein-nucleic
• A–F · 433 Ų buried · 11 hydrogen bonds · protein-nucleic

Compared structures

• 3O9X · Structure of the E. coli antitoxin MqsA (YgiT/b3021) in complex with its gene promoter · the same entry in another collection · chain A against A, TM-score 1.00
• Q46864 · AlphaFold monomer V2.0 prediction for antitoxin mqsa (Q46864) · a predicted model of the same protein · chain A against A, TM-score 0.55

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 Q46864
• Elsewhere: RCSB PDB 3O9X · PDBe 3O9X · UniProt Q46864