Crystal structure of the BEF3-activated receiver domain of redox response regulator arca

Structure

x-ray diffraction · 2 distinct chains · 48% helix, 20% strand (DSSP).

Ligands and binding sites

• BEF · Beryllium trifluoride ion · ligand · 3 copies · chains A, B
• BF4 · Beryllium tetrafluoride ion · ligand · chains B
• BF2 · Beryllium difluoride · ligand · chains A, B
• MG · Magnesium ion · metal · 2 copies · chains A, B

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

Pockets

2 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.

Interfaces

1 interface between chains.

• A–B · 937 Ų buried · 23 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 9 modified (engineered).

Compared structures

• 1XHF · Crystal structure of the bef3-activated receiver domain of redox response regulator arca · the same entry in another collection · chain A against A, TM-score 1.00
• P0A9Q1 · AlphaFold monomer V2.0 prediction for aerobic respiration control protein arca (P0A9Q1) · 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 P0A9Q1
• Elsewhere: RCSB PDB 1XHF · PDBe 1XHF · UniProt P0A9Q1