2025-10-04_00000036
|
ligand
|
9DT3
Crystal structure of the engineered sulfonylurea repressor EsR (L11-C6), bound to ethametsulfuron-methyl;
X-ray diffraction 2.80Å
Protein #1
207 residues (95% resolved)
Raw Sequence ...
MARLDKSKVINSALELLNEVGIEGLTTRKLAQKLGVEQPTLYWHVKNKRALLDAMAIEMLDRHATHYSPLERESWQNFLRNNAKSMRNALLSHRDGAKVCLGTGFTEQQYETAENSLAFLTQQGFSLENALYAMQAVGIYTLGCVLLDQELQVAKEERETPTTDSMPPLVRQAVELKDHQGAEPAFLFGLELIIAGLEKQLKCESGS
Canonical Sequence ...
MARLDKSKVINSALELLNEVGIEGLTTRKLAQKLGVEQPTLYWHVKNKRALLDAMAIEMLDRHATHYSPLERESWQNFLRNNAKSMRNALLSHRDGAKVCLGTGFTEQQYETAENSLAFLTQQGFSLENALYAMQAVGIYTLGCVLLDQELQVAKEERETPTTDSMPPLVRQAVELKDHQGAEPAFLFGLELIIAGLEKQLKCESGS
Non polymer #2
RXF
InChI=1S/C15H18N6O6S/c1-4-27-15-19-12(16-2)17-13(20-15)18-14(23)21-28(24,25)10-8-6-5-7-9(10)11(22)26-3/h5-8H,4H2,1-3H3,(H3,16,17,18,19,20,21,23)
InChI=1S/C15H18N6O6S/c1-4-27-15-19-12(16-2)17-13(20-15)18-14(23)21-28(24,25)10-8-6-5-7-9(10)11(22)26-3/h5-8H,4H2,1-3H3,(H3,16,17,18,19,20,21,23)
SMILES: CCOc1nc(nc(n1)NC(=O)NS(=O)(=O)c2ccccc2C(=O)OC)NC
CCOc1nc(nc(n1)NC(=O)NS(=O)(=O)c2ccccc2C(=O)OC)NC
Biounit #1
homo-dimer
Download coordinates
Biounit #2
homo-dimer
Download coordinates
Tube
Model
Reference
100%