4QAG
Structure of a dihydroxycoumarin active-site inhibitor in complex with the RNASE H domain of HIV-1 reverse transcriptase
Replaces: 4JE2Summary for 4QAG
Entry DOI | 10.2210/pdb4qag/pdb |
Related | 3IFJ 3IG1 3K2P 3QLH 4G1Q |
Descriptor | Reverse transcriptase/ribonuclease H, MANGANESE (II) ION, (7,8-dihydroxy-2-oxo-2H-chromen-4-yl)acetic acid, ... (4 entities in total) |
Functional Keywords | rnase h inhibitor, structure-based drug design, active site, transferase, dihydroxycoumarin analogs, dihydroxy-benzopyrone derivatives, divalent cation chelator, aids, reverse transcriptase, protein-inhibitor complex, hydrolase-hydrolase inhibitor complex, hydrolase/hydrolase inhibitor |
Biological source | Human immunodeficiency virus type 1 (HIV-1) |
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 |
Total number of polymer chains | 2 |
Total formula weight | 30121.44 |
Authors | Himmel, D.M.,Ho, W.C.,Arnold, E. (deposition date: 2014-05-04, release date: 2014-06-04, Last modification date: 2023-09-20) |
Primary citation | Himmel, D.M.,Myshakina, N.S.,Ilina, T.,Van Ry, A.,Ho, W.C.,Parniak, M.A.,Arnold, E. Structure of a Dihydroxycoumarin Active-Site Inhibitor in Complex with the RNase H Domain of HIV-1 Reverse Transcriptase and Structure-Activity Analysis of Inhibitor Analogs. J.Mol.Biol., 426:2617-2631, 2014 Cited by PubMed: 24840303DOI: 10.1016/j.jmb.2014.05.006 PDB entries with the same primary citation |
Experimental method | X-RAY DIFFRACTION (1.712 Å) |
Structure validation
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