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: 32017919DOI: 10.1016/j.chembiol.2020.01.009 PDB entries with the same primary citation |
Experimental method | X-RAY DIFFRACTION (1.9 Å) |
Structure validation
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