5V9U

Crystal Structure of small molecule ARS-1620 covalently bound to K-Ras G12C

Summary for 5V9U

• Entry DOI: 10.2210/pdb5v9u/pdb
• Descriptor: GTPase KRas, CALCIUM ION, (S)-1-{4-[6-chloro-8-fluoro-7-(2-fluoro-6-hydroxyphenyl)quinazolin-4-yl] piperazin-1-yl}propan-1-one, ... (6 entities in total)
• Functional Keywords: small gtpase domain, covalent inhibitor bound, switch ii pocket, gdp bound, hydrolase-hydrolase inhibitor complex, hydrolase/hydrolase inhibitor
• Biological source: Homo sapiens (Human)
• Cellular location: Cell membrane ; Lipid-anchor ; Cytoplasmic side : P01116
• Total number of polymer chains: 2
• Total formula weight: 41066.52

Authors

Janes, M.R.,Zhang, J.,Li, L.-S.,Hansen, R.,Peters, U.,Guo, X.,Chen, Y.,Babbar, A.,Firdaus, S.J.,Feng, J.,Chen, J.H.,Li, S.,Brehmer, D.,Darjania, L.,Li, S.,Long, Y.O.,Thach, C.,Liu, Y.,Zarieh, A.,Ely, T.,Kucharski, J.M.,Kessler, L.V.,Wu, T.,Wang, Y.,Yao, Y.,Deng, X.,Zarrinkar, P.,Dashyant, D.,Lorenzi, M.V.,Hu-Lowe, D.,Patricelli, M.P.,Ren, P.,Liu, Y. (deposition date: 2017-03-23, release date: 2018-02-07, Last modification date: 2023-10-04)

• Primary citation: Janes, M.R.,Zhang, J.,Li, L.S.,Hansen, R.,Peters, U.,Guo, X.,Chen, Y.,Babbar, A.,Firdaus, S.J.,Darjania, L.,Feng, J.,Chen, J.H.,Li, S.,Li, S.,Long, Y.O.,Thach, C.,Liu, Y.,Zarieh, A.,Ely, T.,Kucharski, J.M.,Kessler, L.V.,Wu, T.,Yu, K.,Wang, Y.,Yao, Y.,Deng, X.,Zarrinkar, P.P.,Brehmer, D.,Dhanak, D.,Lorenzi, M.V.,Hu-Lowe, D.,Patricelli, M.P.,Ren, P.,Liu, Y.; Targeting KRAS Mutant Cancers with a Covalent G12C-Specific Inhibitor.; Cell, 172:578-589.e17, 2018; PubMed: 29373830; DOI: 10.1016/j.cell.2018.01.006

Experimental method

X-RAY DIFFRACTION (1.38 Å)