3qip: Difference between revisions
From Proteopedia
Jump to navigationJump to search
No edit summary |
No edit summary |
||
| Line 1: | Line 1: | ||
[[ | ==Structure of HIV-1 reverse transcriptase in complex with an RNase H inhibitor and nevirapine== | ||
<StructureSection load='3qip' size='340' side='right' caption='[[3qip]], [[Resolution|resolution]] 2.09Å' scene=''> | |||
== Structural highlights == | |||
<table><tr><td colspan='2'>[[3qip]] is a 2 chain structure with sequence from [http://en.wikipedia.org/wiki/Hiv-1_m:b_hxb2r Hiv-1 m:b_hxb2r]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=3QIP OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=3QIP FirstGlance]. <br> | |||
</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=CL:CHLORIDE+ION'>CL</scene>, <scene name='pdbligand=MN:MANGANESE+(II)+ION'>MN</scene>, <scene name='pdbligand=NVP:11-CYCLOPROPYL-5,11-DIHYDRO-4-METHYL-6H-DIPYRIDO[3,2-B 2,3-E][1,4]DIAZEPIN-6-ONE'>NVP</scene>, <scene name='pdbligand=P4Y:5,6-DIHYDROXY-2-[(2-PHENYL-1H-INDOL-3-YL)METHYL]PYRIMIDINE-4-CARBOXYLIC+ACID'>P4Y</scene>, <scene name='pdbligand=SO4:SULFATE+ION'>SO4</scene></td></tr> | |||
<tr id='gene'><td class="sblockLbl"><b>[[Gene|Gene:]]</b></td><td class="sblockDat">gag-pol ([http://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=11706 HIV-1 M:B_HXB2R])</td></tr> | |||
<tr id='resources'><td class="sblockLbl"><b>Resources:</b></td><td class="sblockDat"><span class='plainlinks'>[http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=3qip FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=3qip OCA], [http://www.rcsb.org/pdb/explore.do?structureId=3qip RCSB], [http://www.ebi.ac.uk/pdbsum/3qip PDBsum]</span></td></tr> | |||
</table> | |||
<div style="background-color:#fffaf0;"> | |||
== 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<ref>PMID:21464257</ref> | |||
From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br> | |||
</div> | |||
==See Also== | ==See Also== | ||
*[[Reverse transcriptase|Reverse transcriptase]] | *[[Reverse transcriptase|Reverse transcriptase]] | ||
== References == | |||
== | <references/> | ||
< | __TOC__ | ||
</StructureSection> | |||
[[Category: Hiv-1 m:b_hxb2r]] | [[Category: Hiv-1 m:b_hxb2r]] | ||
[[Category: Kirschberg, T A | [[Category: Kirschberg, T A]] | ||
[[Category: Lansdon, E B | [[Category: Lansdon, E B]] | ||
[[Category: Hiv]] | [[Category: Hiv]] | ||
[[Category: Nuclease]] | [[Category: Nuclease]] | ||
