Crystal structure of a designed heterodimeric variant T-A(A) B of the tetracycline repressor

Structure

x-ray diffraction · 2 distinct chains · 35% helix, 61% strand (DSSP).

Ligands and binding sites

• NA · Sodium ion · metal · chains A, B
• CL · Chloride ion · ion · chains A, B
• EDO · 1,2-ethanediol · 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 · 179 Ų buried · 47 hydrogen bonds · protein-protein

Compared structures

• 2XGE · Crystal structure of a designed heterodimeric variant T-A(A)B of the tetracycline… · the same entry in another collection · chain A against A, TM-score 1.00
• P0ACT4 · AlphaFold monomer V2.0 prediction for tetracycline repressor protein class D (P0ACT4) · a predicted model of the same protein · chain B against A, TM-score 0.94
• P04483 · AlphaFold monomer V2.0 prediction for tetracycline repressor protein class B from… · a predicted model of the same protein · chain B against A, TM-score 0.94

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 P04483
• Every structure of UniProt P0ACT4
• Elsewhere: RCSB PDB 2XGE · PDBe 2XGE · UniProt P04483 · UniProt P0ACT4