Crystal structure of eis from mycobacterium tuberculosis in complex with inhibitor SGT1348

Structure

x-ray diffraction · 1 distinct chain.

Ligands and binding sites

• RMG · 2-{[3-(piperidin-1-yl)propyl]sulfanyl}-6,7,8,9-tetrahydro-5H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-4-amine · ligand · chains A
• NA · Sodium ion · metal · chains A
• SO4 · Sulfate ion · ion · chains A
• CL · Chloride ion · ion · chains A
• PEG · Di(hydroxyethyl)ether · additive · chains A
• GOL · Glycerol · additive · chains A
• DMS · Dimethyl sulfoxide · additive · chains A

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

Compared structures

• 6VV2 · Crystal structure of Eis from Mycobacterium tuberculosis in complex with inhibitor SGT1348 · 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 6VV2 · PDBe 6VV2 · UniProt P9WFK7