Crystal structures of the ADP and ATP bound forms of the bacillus anti-sigma factor spoiiab in complex with the anti-anti-sigma spoiiaa: inhibitory complex with ADP, crystal form II

Structure

x-ray diffraction · 2 distinct chains · 41% helix, 32% strand (DSSP).

Ligands and binding sites

• ADP · Adenosine-5'-diphosphate · ligand · chains A
• MG · Magnesium ion · metal · 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 · 893 Ų buried · 15 hydrogen bonds · protein-protein

Compared structures

• 1TH8 · Crystal Structures of the ADP and ATP bound forms of the Bacillus Anti-sigma factor… · the same entry in another collection · chain A against A, TM-score 1.00
• O32727 · AlphaFold monomer V2.0 prediction for anti-sigma F factor (O32727) · a predicted model of the same protein · chain A against A, TM-score 0.99
• O32726 · AlphaFold monomer V2.0 prediction for anti-sigma F factor antagonist (O32726) · 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 O32727
• Every structure of UniProt O32726
• Elsewhere: RCSB PDB 1TH8 · PDBe 1TH8 · UniProt O32727 · UniProt O32726