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 Cited by PubMed: 29373830DOI: 10.1016/j.cell.2018.01.006 PDB entries with the same primary citation |
Experimental method | X-RAY DIFFRACTION (1.38 Å) |
Structure validation
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