1S6P

CRYSTAL STRUCTURE OF HUMAN IMMUNODEFICIENCY VIRUS TYPE 1 REVERSE TRANSCRIPTASE (RT) IN COMPLEX WITH JANSSEN-R100943

Summary for 1S6P

• Entry DOI: 10.2210/pdb1s6p/pdb
• Related: 1DLO 1HNI 1HNV 1S6Q 1S9E 1S9G 1SUQ 1SV5 2HMI
• Descriptor: POL polyprotein [Contains: Reverse transcriptase], MAGNESIUM ION, 1-(4-CYANO-PHENYL)-3-[2-(2,6-DICHLORO-PHENYL)-1-IMINO-ETHYL]-THIOUREA, ... (5 entities in total)
• Functional Keywords: reverse transcriptase, nnrti, nonnucleoside inhibitor, protein-inhibitor complex, aids, drug design, drug resistance, transferase
• Biological source: Human immunodeficiency virus 1; More
• Cellular location: Matrix protein p17: Virion (Potential). Capsid protein p24: Virion (Potential). Nucleocapsid protein p7: Virion (Potential). Reverse transcriptase/ribonuclease H: Virion (Potential). Integrase: Virion (Potential): P03366 P03366
• Total number of polymer chains: 2
• Total formula weight: 115170.30

Authors

Das, K.,Arnold, E. (deposition date: 2004-01-26, release date: 2004-05-11, Last modification date: 2024-02-14)

• Primary citation: Das, K.,Clark Jr., A.D.,Lewi, P.,Heeres, J.,Dejonge, M.,Koymans, L.,Vinkers, H.,Daeyaert, F.,Ludovici, D.W.,Kukla, M.J.,Decorte, B.,Kavash, R.W.,Ho, C.Y.,Ye, H.,Lichtenstein, M.,Andries, K.,Pauwles, R.,Debethune, M.-P.,Boyer, P.L.,Clark, P.,Hughes, S.H.,Janssen, P.A.,Arnold, E.; Roles of Conformational and Positional Adaptability in Structure-Based Design of TMC125-R165335 (Etravirine) and Related Non-nucleoside Reverse Transcriptase Inhibitors That Are Highly Potent and Effective against Wild-Type and Drug-Resistant HIV-1 Variants; J.Med.Chem., 47:2550-2560, 2004; PubMed: 15115397; DOI: 10.1021/jm030558s

Experimental method

X-RAY DIFFRACTION (2.9 Å)