Crystal structure of eis from mycobacterium tuberculosis in complex with inhibitor SGT366

Structure

x-ray diffraction · 1 distinct chain.

Ligands and binding sites

• ROG · 2-({[(3S)-1-methylpiperidin-3-yl]methyl}sulfanyl)-5,6, 7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-amine · ligand · chains A
• NA · Sodium ion · metal · 2 copies · chains A
• SO4 · Sulfate ion · ion · 3 copies · chains A
• CL · Chloride ion · ion · 3 copies · chains A
• GOL · Glycerol · additive · 3 copies · chains A
• PEG · Di(hydroxyethyl)ether · additive · 2 copies · chains A

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

Compared structures

• 6VUR · Crystal structure of Eis from Mycobacterium tuberculosis in complex with inhibitor SGT366 · the same entry in another collection · chain A against A, TM-score 1.00
• P9WFK7 · AlphaFold monomer V2.0 prediction for N-acetyltransferase eis (P9WFK7) · a predicted model of the same protein · chain A against A, TM-score 1.00

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 P9WFK7
• Elsewhere: RCSB PDB 6VUR · PDBe 6VUR · UniProt P9WFK7