7KRD
Crystal Structure of HIV-1 Reverse Transcriptase in Complex with 4-(3-chloro-5-cyanophenoxy)-3-(2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)ethoxy)phenyl sulfurofluoridate (JLJ702)
Summary for 7KRD
Entry DOI | 10.2210/pdb7krd/pdb |
Descriptor | HIV-1 REVERSE TRANSCRIPTASE, P66 SUBUNIT, HIV-1 REVERSE TRANSCRIPTASE, P51 SUBUNIT, 4-(3-chloro-5-cyanophenoxy)-3-[2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)ethoxy]phenyl sulfurofluoridate (3 entities in total) |
Functional Keywords | polymerase, reverse transcriptase, non-nucleoside inhibitor, transferase, hydrolase-inhibitor complex, hydrolase/inhibitor |
Biological source | Human immunodeficiency virus type 1 group M subtype B (isolate BH10) More |
Total number of polymer chains | 2 |
Total formula weight | 114510.57 |
Authors | Bertoletti, N.,Ippolito, J.A.,Jorgensen, W.L.,Anderson, K.S. (deposition date: 2020-11-19, release date: 2021-01-13, Last modification date: 2023-10-18) |
Primary citation | Ippolito, J.A.,Niu, H.,Bertoletti, N.,Carter, Z.J.,Jin, S.,Spasov, K.A.,Cisneros, J.A.,Valhondo, M.,Cutrona, K.J.,Anderson, K.S.,Jorgensen, W.L. Covalent Inhibition of Wild-Type HIV-1 Reverse Transcriptase Using a Fluorosulfate Warhead. Acs Med.Chem.Lett., 12:249-255, 2021 Cited by PubMed: 33603971DOI: 10.1021/acsmedchemlett.0c00612 PDB entries with the same primary citation |
Experimental method | X-RAY DIFFRACTION (2.7 Å) |
Structure validation
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