3qio | pdb_00003qio

Crystal Structure of HIV-1 RNase H with engineered E. coli loop and N-hydroxy quinazolinedione inhibitor

spinqualitylabelsall models 3qio, resolution 1.40Å Show:Asymmetric Unit Biological Assembly Drag the structure with the mouse to rotate   Export Animated Image   Print3D Structural highlights 3qio is a 1 chain structure with sequence from Hiv-1. Full crystallographic information is available from OCA. For a guided tour on the structure components use FirstGlance. Ligands: MN, QID, SO4 Related: 3hyf Gene: gag-pol (HIV-1) Resources: FirstGlance, OCA, PDBe, RCSB, PDBsum, ProSAT Publication Abstract from PubMed Human immunodeficiency virus (HIV-1) RNase H breaks down the intermediate RNA/DNA hybrids during reverse transcription, requiring two divalent metal ions for activity. Pyrimidinol carboxylic acid and N-hydroxy quinazolinedione inhibitors were designed to coordinate the two metal ions in the active site of RNase H. High resolution (1.4A-2.1A) crystal structures were determined with isolated RNase H domain and RT which permit accurate assessment of the metal and water environment at the active site. The geometry of the metal coordination suggests that the inhibitors mimic a substrate state prior to phosphodiester catalysis. Surface plasmon resonance studies confirm metal-dependent binding to RNase H and demonstrate that the inhibitors do not bind at the polymerase active site of RT. Additional evaluation of the RNase H site reveals an open protein surface with few additional interactions to optimize active site inhibitors. Structural and Binding Analysis of Pyrimidinol Carboxylic Acid and N-hydroxy Quinazolinedione HIV-1 RNase H Inhibitors.,Lansdon EB, Liu Q, Leavitt SA, Balakrishnan M, Perry JK, Lancaster-Moyer C, Kutty N, Liu X, Squires NH, Watkins WJ, Kirschberg TA Antimicrob Agents Chemother. 2011 Apr 4. PMID:21464257 From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.

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