1S6Q

CRYSTAL STRUCTURE OF HIV-1 REVERSE TRANSCRIPTASE (RT) IN COMPLEX WITH JANSSEN-R147681

Summary for 1S6Q

• Entry DOI: 10.2210/pdb1s6q/pdb
• Related: 1DLO 1HNI 1HNV 1S6P 1S9E 1S9G 1SUQ 1SV5 1TVR 2HMI
• Descriptor: POL polyprotein [Contains: Reverse transcriptase], 4-[4-(2,4,6-TRIMETHYL-PHENYLAMINO)-PYRIMIDIN-2-YLAMINO]-BENZONITRILE (3 entities in total)
• Functional Keywords: aids, hiv, drug design, reverse transcriptase, rt, protein-inhibitor complex, 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: 115112.13

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, A.D.,Lewi, P.J.,Heeres, J.,De Jonge, M.R.,Koymans, L.M.,Vinkers, H.M.,Daeyaert, F.,Ludovici, D.W.,Kukla, M.J.,De Corte, B.,Kavash, R.W.,Ho, C.Y.,Ye, H.,Lichtenstein, M.A.,Andries, K.,Pauwels, R.,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 (3 Å)