8CX5

Crystal Structure of small molecule alpha,beta-ketoamide 4 covalently bound to K-Ras(G12R)

Summary for 8CX5

• Entry DOI: 10.2210/pdb8cx5/pdb
• Descriptor: Isoform 2B of GTPase KRas, MAGNESIUM ION, {(2S)-4-[(7P)-7-(8-chloronaphthalen-1-yl)-8-fluoro-2-{[(4R,7as)-tetrahydro-1H-pyrrolizin-7a(5H)-yl]methoxy}pyrido[4,3-d]pyrimidin-4-yl]-1-[(3S)-2,2,3-trihydroxybutanoyl]piperazin-2-yl}acetonitrile, ... (7 entities in total)
• Functional Keywords: inhibitor, signaling protein, signaling protein-inhibitor complex, signaling protein/inhibitor
• Biological source: Homo sapiens (human)
• Total number of polymer chains: 2
• Total formula weight: 41341.95

Authors

Zhang, Z.,Morstein, J.,Ecker, A.,Guiley, K.Z.,Shokat, K.M. (deposition date: 2022-05-19, release date: 2022-08-31, Last modification date: 2023-10-18)

• Primary citation: Zhang, Z.,Morstein, J.,Ecker, A.K.,Guiley, K.Z.,Shokat, K.M.; Chemoselective Covalent Modification of K-Ras(G12R) with a Small Molecule Electrophile.; J.Am.Chem.Soc., 144:15916-15921, 2022; PubMed: 36001446; DOI: 10.1021/jacs.2c05377

Experimental method

X-RAY DIFFRACTION (1.72 Å)