3dcr

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{{Seed}}
 
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[[Image:3dcr.jpg|left|200px]]
 
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==X-ray structure of HIV-1 protease and hydrated form of ketomethylene isostere inhibitor==
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The line below this paragraph, containing "STRUCTURE_3dcr", creates the "Structure Box" on the page.
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<StructureSection load='3dcr' size='340' side='right'caption='[[3dcr]], [[Resolution|resolution]] 1.40&Aring;' scene=''>
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You may change the PDB parameter (which sets the PDB file loaded into the applet)
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== Structural highlights ==
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or the SCENE parameter (which sets the initial scene displayed when the page is loaded),
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<table><tr><td colspan='2'>[[3dcr]] is a 2 chain structure with sequence from [https://en.wikipedia.org/wiki/Human_immunodeficiency_virus_1 Human immunodeficiency virus 1]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=3DCR OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=3DCR FirstGlance]. <br>
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or leave the SCENE parameter empty for the default display.
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</td></tr><tr id='method'><td class="sblockLbl"><b>[[Empirical_models|Method:]]</b></td><td class="sblockDat" id="methodDat">X-ray diffraction, [[Resolution|Resolution]] 1.4&#8491;</td></tr>
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<tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=ABA:ALPHA-AMINOBUTYRIC+ACID'>ABA</scene>, <scene name='pdbligand=KVS:N~2~-[(2R,5S)-5-({(2S,3S)-2-[(N-ACETYL-L-THREONYL)AMINO]-3-METHYLPENT-4-ENOYL}AMINO)-2-BUTYL-4,4-DIHYDROXYNONANOYL]-L-GLUTAMINYL-L-ARGININAMIDE'>KVS</scene>, <scene name='pdbligand=NLE:NORLEUCINE'>NLE</scene>, <scene name='pdbligand=YCM:S-(2-AMINO-2-OXOETHYL)-L-CYSTEINE'>YCM</scene></td></tr>
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{{STRUCTURE_3dcr| PDB=3dcr | SCENE= }}
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<tr id='resources'><td class="sblockLbl"><b>Resources:</b></td><td class="sblockDat"><span class='plainlinks'>[https://proteopedia.org/fgij/fg.htm?mol=3dcr FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=3dcr OCA], [https://pdbe.org/3dcr PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=3dcr RCSB], [https://www.ebi.ac.uk/pdbsum/3dcr PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=3dcr ProSAT]</span></td></tr>
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</table>
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== Function ==
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[https://www.uniprot.org/uniprot/O38732_9HIV1 O38732_9HIV1]
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== Evolutionary Conservation ==
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[[Image:Consurf_key_small.gif|200px|right]]
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Check<jmol>
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<jmolCheckbox>
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<scriptWhenChecked>; select protein; define ~consurf_to_do selected; consurf_initial_scene = true; script "/wiki/ConSurf/dc/3dcr_consurf.spt"</scriptWhenChecked>
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<scriptWhenUnchecked>script /wiki/extensions/Proteopedia/spt/initialview01.spt</scriptWhenUnchecked>
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<text>to colour the structure by Evolutionary Conservation</text>
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</jmolCheckbox>
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</jmol>, as determined by [http://consurfdb.tau.ac.il/ ConSurfDB]. You may read the [[Conservation%2C_Evolutionary|explanation]] of the method and the full data available from [http://bental.tau.ac.il/new_ConSurfDB/main_output.php?pdb_ID=3dcr ConSurf].
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<div style="clear:both"></div>
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<div style="background-color:#fffaf0;">
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== Publication Abstract from PubMed ==
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Here we report the X-ray structures of chemically synthesized HIV-1 protease and the inactive [D25N]HIV-1 protease complexed with the ketomethylene isostere inhibitor Ac-Thr-Ile-Nle psi[CO-CH(2)]Nle-Gln-Arg.amide at 1.4 and 1.8A resolution, respectively. In complex with the active enzyme, the keto-group was found to be converted into the hydrated gem-diol, while the structure of the complex with the inactive D25N enzyme revealed an intact keto-group. These data support the general acid-general base mechanism for HIV-1 protease catalysis.
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===X-ray structure of HIV-1 protease and hydrated form of ketomethylene isostere inhibitor===
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Crystal structure of chemically synthesized HIV-1 protease and a ketomethylene isostere inhibitor based on the p2/NC cleavage site.,Torbeev VY, Mandal K, Terechko VA, Kent SB Bioorg Med Chem Lett. 2008 Aug 15;18(16):4554-7. Epub 2008 Jul 15. PMID:18657969<ref>PMID:18657969</ref>
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From MEDLINE&reg;/PubMed&reg;, a database of the U.S. National Library of Medicine.<br>
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</div>
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<div class="pdbe-citations 3dcr" style="background-color:#fffaf0;"></div>
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==See Also==
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The line below this paragraph, {{ABSTRACT_PUBMED_18657969}}, adds the Publication Abstract to the page
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*[[Immunodeficiency virus protease 3D structures|Immunodeficiency virus protease 3D structures]]
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(as it appears on PubMed at http://www.pubmed.gov), where 18657969 is the PubMed ID number.
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== References ==
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<references/>
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{{ABSTRACT_PUBMED_18657969}}
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__TOC__
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</StructureSection>
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==About this Structure==
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[[Category: Human immunodeficiency virus 1]]
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3DCR is a [[Protein complex]] structure. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=3DCR OCA].
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[[Category: Large Structures]]
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[[Category: Kent SBH]]
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==Reference==
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[[Category: Mandal K]]
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Crystal structure of chemically synthesized HIV-1 protease and a ketomethylene isostere inhibitor based on the p2/NC cleavage site., Torbeev VY, Mandal K, Terechko VA, Kent SB, Bioorg Med Chem Lett. 2008 Aug 15;18(16):4554-7. Epub 2008 Jul 15. PMID:[http://www.ncbi.nlm.nih.gov/pubmed/18657969 18657969]
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[[Category: Terechko VA]]
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[[Category: HIV-1 retropepsin]]
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[[Category: Torbeev VY]]
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[[Category: Protein complex]]
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[[Category: Kent, S B.H.]]
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[[Category: Mandal, K.]]
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[[Category: Terechko, V A.]]
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[[Category: Torbeev, V Y.]]
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[[Category: Beta-strand]]
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[[Category: Beta-turn]]
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[[Category: Hiv-1 protease]]
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[[Category: Homodimer]]
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[[Category: Hydrolase]]
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''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Wed Aug 20 12:14:59 2008''
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Current revision

X-ray structure of HIV-1 protease and hydrated form of ketomethylene isostere inhibitor

PDB ID 3dcr

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OCA

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