2YKN

Crystal structure of HIV-1 Reverse Transcriptase (RT) in complex with a Difluoromethylbenzoxazole (DFMB) Pyrimidine Thioether derivative, a non-nucleoside RT inhibitor (NNRTI)

Summary for 2YKN

• Entry DOI: 10.2210/pdb2ykn/pdb
• Related: 1A9M 1AJV 1AJX 1AXA 1BQM 1BQN 1D4H 1D4I 1D4J 1DLO 1DW6 1EBK 1EBW 1EBY 1EBZ 1EC0 1EC1 1EC2 1EC3 1EET 1HAR 1HBV 1HEF 1HEG 1HIH 1HMV 1HNI 1HNV 1HOS 1HPS 1HPZ 1HQE 1HQU 1HRH 1HTE 1HTF 1HTG 1HVK 1HVP 1HVU 1HYS 1IKV 1IKW 1IKX 1IKY 1J5O 1MER 1MES 1MET 1MEU 1N5Y 1N6Q 1NPA 1NPV 1NPW 1QE1 1QMC 1R0A 1RDH 1RTD 1RVL 1RVM 1RVN 1RVO 1RVP 1RVQ 1RVR 1S6P 1S6Q 1S9E 1S9G 1SBG 1SUQ 1SV5 1T03 1T05 1T7K 1TV6 1TVR 1UWB 1W5V 1W5W 1W5X 1W5Y 1YT9 2B5J 2B6A 2BAN 2BBB 2BE2 2HMI 2UXZ 2UY0 2VG5 2VG6 2VG7 2X4U 2XYE 2XYF 2YKM 3HVT 3TLH
• Descriptor: REVERSE TRANSCRIPTASE/RIBONUCLEASE H, 2-[DIFLUORO-[(4-METHYL-PYRIMIDINYL)-THIO]METHYL]-BENZOXAZOLE, CALCIUM ION, ... (5 entities in total)
• Functional Keywords: hydrolase
• Biological source: HUMAN IMMUNODEFICIENCY VIRUS TYPE 1 BH10; More
• Cellular location: Gag-Pol polyprotein: Host cell membrane; Lipid-anchor. Matrix protein p17: Virion membrane; Lipid- anchor . Capsid protein p24: Virion . Nucleocapsid protein p7: Virion . Reverse transcriptase/ribonuclease H: Virion . Integrase: Virion : P03366 P03366
• Total number of polymer chains: 2
• Total formula weight: 115163.10

Authors

Boyer, J.,Arnoult, E.,Medebielle, M.,Guillemont, J.,Unge, T.,Unge, J.,Jochmans, D. (deposition date: 2011-05-28, release date: 2011-08-17, Last modification date: 2018-01-17)

• Primary citation: Boyer, J.,Arnoult, E.,Medebielle, M.,Guillemont, J.,Unge, J.,Jochmans, D.; Difluoromethylbenzoxazole Pyrimidine Thioether Derivatives: A Novel Class of Potent Non-Nucleoside HIV-1 Reverse Transcriptase Inhibitors.; J.Med.Chem., 54:7974-, 2011; PubMed: 22017513; DOI: 10.1021/JM200766B

Experimental method

X-RAY DIFFRACTION (2.12 Å)