6UEL

CPS1 bound to allosteric inhibitor H3B-193

Summary for 6UEL

Entry DOI	10.2210/pdb6uel/pdb
Descriptor	Carbamoyl-phosphate synthase [ammonia], mitochondrial, ZINC ION, N~1~-[(4-fluorophenyl)methyl]-N~1~-methyl-N~4~-(4-methyl-1,3-thiazol-2-yl)piperidine-1,4-dicarboxamide, ... (4 entities in total)
Functional Keywords	allosteric inhibitor, cps1, ligase, transferase, ligase-ligase inhibitor complex, ligase/ligase inhibitor
Biological source	Homo sapiens (Human)
Total number of polymer chains	2
Total formula weight	331168.83
Authors	Larsen, N.A.,Nguyen, T.V. (deposition date: 2019-09-21, release date: 2020-03-18, Last modification date: 2023-10-11)
Primary citation	Yao, S.,Nguyen, T.V.,Rolfe, A.,Agrawal, A.A.,Ke, J.,Peng, S.,Colombo, F.,Yu, S.,Bouchard, P.,Wu, J.,Huang, K.C.,Bao, X.,Omoto, K.,Selvaraj, A.,Yu, L.,Ioannidis, S.,Vaillancourt, F.H.,Zhu, P.,Larsen, N.A.,Bolduc, D.M. Small Molecule Inhibition of CPS1 Activity through an Allosteric Pocket. Cell Chem Biol, 27:259-268.e5, 2020 Cited by PubMed: 32017919 DOI: 10.1016/j.chembiol.2020.01.009 PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (1.9 Å)

Structure validation