Crystal structure of HIV-1 reverse transcriptase in complex with N1-heterocycle pyrimidinedione non-nucleoside inhibitor

Summary for 3LAK
Related3LAL 3LAM 3LAN
DescriptorHIV Reverse transcriptase, 3-({3-[(2-amino-6-fluoropyridin-4-yl)methyl]-5-(1-methylethyl)-2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl}carbonyl)-5-methylbenzonitrile, SULFATE ION, ... (5 entities in total)
Functional Keywordshiv, reverse transcriptase, rt, nnrti, transferase
Biological sourceHuman immunodeficiency virus type 1 (HIV-1)
Cellular locationMatrix protein p17: Virion (Potential). Capsid protein p24: Virion (Potential). Nucleocapsid protein p7: Virion (Potential). Reverse transcriptase/ribonuclease H: Virion (Potential). Integrase: Virion (Potential): P04585
Total number of polymer chains2
Total formula weight129967.03
Lansdon, E.B.,Mitchell, M.L. (deposition date: 2010-01-06, release date: 2010-02-23, Last modification date: 2011-07-13)
Primary citationChen, J.M.,Eisenberg, G.,Geleziunas, R.,Guo, H.,Hayes, J.,Kim, C.U.,Kim, H.S.,Lansdon, E.B.,Lee, C.K.,Lee, I.Y.,Mitchell, M.L.,Paul, A.,Son, J.C.,Wang, J.,Wang, M.,Xu, L.
N1-Heterocyclic pyrimidinediones as non-nucleoside inhibitors of HIV-1 reverse transcriptase.
Bioorg.Med.Chem.Lett., 20:1585-1588, 2010
PubMed: 20137928
DOI: 110.1016/j.bmcl.2010.01.086
PDB entries with the same primary citation
Experimental method
Structure validation
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PDB entries from 2021-06-16