Crystal structure of the ATP binding domain of S. aureus gyrb complexed with uld-2

Structure

x-ray diffraction · 2 distinct chains.

Ligands and binding sites

• N1N · 2-[[3,4-bis(chloranyl)-5-methyl-1~{H}-pyrrol-2-yl]carbonylamino]-4-phenylmethoxy-1,3-benzothiazole-6-carboxylic acid · ligand · 2 copies · chains A, B
• CA · Calcium ion · metal · chains B
• CL · Chloride ion · ion · 2 copies · chains A, B
• MPD · (4S)-2-methyl-2,4-pentanediol · additive · 5 copies · chains A, B
• GOL · Glycerol · additive · chains A
• IMD · Imidazole · additive · chains B
• DMS · Dimethyl sulfoxide · additive · chains B

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

Compared structures

• 6TCK · Crystal structure of the ATP binding domain of S. aureus GyrB complexed with ULD-2 · the same entry in another collection · chain A against A, TM-score 1.00
• P0A0K8 · AlphaFold monomer V2.0 prediction for DNA gyrase subunit B (P0A0K8) · a predicted model of the same protein · chain B against A, TM-score 0.97

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 P0A0K8
• Elsewhere: RCSB PDB 6TCK · PDBe 6TCK · UniProt P0A0K8