3QLH
HIV-1 Reverse Transcriptase in Complex with Manicol at the RNase H Active Site and TMC278 (Rilpivirine) at the NNRTI Binding Pocket
Summary for 3QLH
Entry DOI | 10.2210/pdb3qlh/pdb |
Descriptor | reverse transcriptase/ribonuclease H, (2S)-5,7-dihydroxy-9-methyl-2-(prop-1-en-2-yl)-1,2,3,4-tetrahydro-6H-benzo[7]annulen-6-one, 4-{[4-({4-[(E)-2-cyanoethenyl]-2,6-dimethylphenyl}amino)pyrimidin-2-yl]amino}benzonitrile, ... (8 entities in total) |
Functional Keywords | rnase h inhibitor, structure-based drug design, tropolone derivatives, divalent cation chelator, non-nucleoside rt inhibitor, transferase, hydrolase-inhibitor complex, hydrolase/inhibitor |
Biological source | Human immunodeficiency virus type 1 (HIV-1) 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 | 114195.65 |
Authors | Himmel, D.M.,Wojtak, K.,Bauman, J.D.,Arnold, E. (deposition date: 2011-02-02, release date: 2011-12-21, Last modification date: 2024-03-13) |
Primary citation | Chung, S.,Himmel, D.M.,Jiang, J.K.,Wojtak, K.,Bauman, J.D.,Rausch, J.W.,Wilson, J.A.,Beutler, J.A.,Thomas, C.J.,Arnold, E.,Le Grice, S.F. Synthesis, activity, and structural analysis of novel alpha-hydroxytropolone inhibitors of human immunodeficiency virus reverse transcriptase-associated ribonuclease H. J.Med.Chem., 54:4462-4473, 2011 Cited by PubMed: 21568335DOI: 10.1021/jm2000757 PDB entries with the same primary citation |
Experimental method | X-RAY DIFFRACTION (2.7 Å) |
Structure validation
Download full validation report