6V2F

Crystal structure of the HIV capsid hexamer bound to the small molecule long-acting inhibitor, GS-6207

Summary for 6V2F

• Entry DOI: 10.2210/pdb6v2f/pdb
• Descriptor: HIV-1 capsid, N-[(1S)-1-(3-{4-chloro-3-[(methylsulfonyl)amino]-1-(2,2,2-trifluoroethyl)-1H-indazol-7-yl}-6-[3-methyl-3-(methylsulfonyl)but-1-yn-1-yl]pyridin-2-yl)-2-(3,5-difluorophenyl)ethyl]-2-[(3bS,4aR)-5,5-difluoro-3-(trifluoromethyl)-3b,4,4a,5-tetrahydro-1H-cyclopropa[3,4]cyclopenta[1,2-c]pyrazol-1-yl]acetamide (3 entities in total)
• Functional Keywords: hiv capsid, capsid assembly accelerator, long-acting inhibitor, antiviral, viral protein
• Biological source: Human immunodeficiency virus 1
• Total number of polymer chains: 6
• Total formula weight: 159364.51

Authors

Appleby, T.C.,Link, J.O.,Yant, S.R.,Villasenor, A.G.,Somoza, J.R.,Hu, E.Y.,Schroeder, S.D.,Cihlar, T. (deposition date: 2019-11-22, release date: 2020-07-01, Last modification date: 2023-10-18)

• Primary citation: Link, J.O.,Rhee, M.S.,Tse, W.C.,Zheng, J.,Somoza, J.R.,Rowe, W.,Begley, R.,Chiu, A.,Mulato, A.,Hansen, D.,Singer, E.,Tsai, L.K.,Bam, R.A.,Chou, C.H.,Canales, E.,Brizgys, G.,Zhang, J.R.,Li, J.,Graupe, M.,Morganelli, P.,Liu, Q.,Wu, Q.,Halcomb, R.L.,Saito, R.D.,Schroeder, S.D.,Lazerwith, S.E.,Bondy, S.,Jin, D.,Hung, M.,Novikov, N.,Liu, X.,Villasenor, A.G.,Cannizzaro, C.E.,Hu, E.Y.,Anderson, R.L.,Appleby, T.C.,Lu, B.,Mwangi, J.,Liclican, A.,Niedziela-Majka, A.,Papalia, G.A.,Wong, M.H.,Leavitt, S.A.,Xu, Y.,Koditek, D.,Stepan, G.J.,Yu, H.,Pagratis, N.,Clancy, S.,Ahmadyar, S.,Cai, T.Z.,Sellers, S.,Wolckenhauer, S.A.,Ling, J.,Callebaut, C.,Margot, N.,Ram, R.R.,Liu, Y.P.,Hyland, R.,Sinclair, G.I.,Ruane, P.J.,Crofoot, G.E.,McDonald, C.K.,Brainard, D.M.,Lad, L.,Swaminathan, S.,Sundquist, W.I.,Sakowicz, R.,Chester, A.E.,Lee, W.E.,Daar, E.S.,Yant, S.R.,Cihlar, T.; Clinical targeting of HIV capsid protein with a long-acting small molecule.; Nature, 584:614-618, 2020; PubMed: 32612233; DOI: 10.1038/s41586-020-2443-1

Experimental method

X-RAY DIFFRACTION (2 Å)