6TAN

X-RAY STRUCTURE OF HUMAN K-RAS G12C IN COMPLEX WITH COVALENT ISOQUINOLINONE INHIBITOR (COMPOUND 17)

Summary for 6TAN

• Entry DOI: 10.2210/pdb6tan/pdb
• Descriptor: GTPase KRas, GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ... (5 entities in total)
• Functional Keywords: kras, inhibitor, covalent binding, hydrolase
• Biological source: Homo sapiens (Human)
• Total number of polymer chains: 1
• Total formula weight: 20201.69

Authors

Hillig, R.C.,Eis, K.,Badock, V. (deposition date: 2019-10-30, release date: 2020-04-08, Last modification date: 2024-05-01)

• Primary citation: Mortier, J.,Friberg, A.,Badock, V.,Moosmayer, D.,Schroeder, J.,Steigemann, P.,Siegel, F.,Gradl, S.,Bauser, M.,Hillig, R.C.,Briem, H.,Eis, K.,Bader, B.,Nguyen, D.,Christ, C.D.; Computationally Empowered Workflow Identifies Novel Covalent Allosteric Binders for KRASG12C.; Chemmedchem, 15:827-832, 2020; PubMed: 32237114; DOI: 10.1002/cmdc.201900727

Experimental method

X-RAY DIFFRACTION (1.16 Å)