6VKV

Co-crystal structure of GS-6207 bound to HIV-1 capsid hexamer

Summary for 6VKV

• Entry DOI: 10.2210/pdb6vkv/pdb
• Related: 6VWS
• EMDB information: 21424
• Descriptor: Capsid protein p24, 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, IODIDE ION, ... (5 entities in total)
• Functional Keywords: viral protein
• Biological source: Human immunodeficiency virus 1
• Total number of polymer chains: 3
• Total formula weight: 80419.52

Authors

Bester, S.M.,Kvaratskhelia, M. (deposition date: 2020-01-22, release date: 2020-10-21, Last modification date: 2023-10-11)

• Primary citation: Bester, S.M.,Wei, G.,Zhao, H.,Adu-Ampratwum, D.,Iqbal, N.,Courouble, V.V.,Francis, A.C.,Annamalai, A.S.,Singh, P.K.,Shkriabai, N.,Van Blerkom, P.,Morrison, J.,Poeschla, E.M.,Engelman, A.N.,Melikyan, G.B.,Griffin, P.R.,Fuchs, J.R.,Asturias, F.J.,Kvaratskhelia, M.; Structural and mechanistic bases for a potent HIV-1 capsid inhibitor.; Science, 370:360-364, 2020; PubMed: 33060363; DOI: 10.1126/science.abb4808

Experimental method

X-RAY DIFFRACTION (2.22 Å)