4QAG

Structure of a dihydroxycoumarin active-site inhibitor in complex with the RNASE H domain of HIV-1 reverse transcriptase

Replaces:  4JE2

Summary 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; PubMed: 24840303; DOI: 10.1016/j.jmb.2014.05.006

Experimental method

X-RAY DIFFRACTION (1.712 Å)