3haw: Difference between revisions

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-[[Image:3haw.png|left|200px]]
-<!--
+==Crystal structure of [L-Ala51/51']HIV-1 protease with reduced isostere MVT-101 inhibitor==
-The line below this paragraph, containing "STRUCTURE_3haw", creates the "Structure Box" on the page.
+<StructureSection load='3haw' size='340' side='right'caption='[[3haw]], [[Resolution|resolution]] 1.30&Aring;' scene=''>
-You may change the PDB parameter (which sets the PDB file loaded into the applet)
+== Structural highlights ==
-or the SCENE parameter (which sets the initial scene displayed when the page is loaded),
+<table><tr><td colspan='2'>[[3haw]] is a 2 chain structure. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=3HAW OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=3HAW FirstGlance]. <br>
-or leave the SCENE parameter empty for the default display.
+</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=2NC:N-{(2S)-2-[(N-ACETYL-L-THREONYL-L-ISOLEUCYL)AMINO]HEXYL}-L-NORLEUCYL-L-GLUTAMINYL-N~5~-[AMINO(IMINIO)METHYL]-L-ORNITHINAMIDE'>2NC</scene>, <scene name='pdbligand=SO4:SULFATE+ION'>SO4</scene></td></tr>
--->
+<tr id='NonStdRes'><td class="sblockLbl"><b>[[Non-Standard_Residue|NonStd Res:]]</b></td><td class="sblockDat"><scene name='pdbligand=ABA:ALPHA-AMINOBUTYRIC+ACID'>ABA</scene>, <scene name='pdbligand=NLE:NORLEUCINE'>NLE</scene>, <scene name='pdbligand=SMC:S-METHYLCYSTEINE'>SMC</scene></td></tr>
-{{STRUCTURE_3haw|  PDB=3haw  |  SCENE=  }}
+<tr id='related'><td class="sblockLbl"><b>[[Related_structure|Related:]]</b></td><td class="sblockDat"><div style='overflow: auto; max-height: 3em;'>[[3fsm|3fsm]], [[3gi0|3gi0]], [[3hau|3hau]]</div></td></tr>
+<tr id='activity'><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[https://en.wikipedia.org/wiki/HIV-1_retropepsin HIV-1 retropepsin], with EC number [https://www.brenda-enzymes.info/php/result_flat.php4?ecno=3.4.23.16 3.4.23.16] </span></td></tr>
+<tr id='resources'><td class="sblockLbl"><b>Resources:</b></td><td class="sblockDat"><span class='plainlinks'>[https://proteopedia.org/fgij/fg.htm?mol=3haw FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=3haw OCA], [https://pdbe.org/3haw PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=3haw RCSB], [https://www.ebi.ac.uk/pdbsum/3haw PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=3haw ProSAT]</span></td></tr>
+</table>
+<div style="background-color:#fffaf0;">
+== Publication Abstract from PubMed ==
+We have used chemical protein synthesis and advanced physical methods to probe dynamics-function correlations for the HIV-1 protease, an enzyme that has received considerable attention as a target for the treatment of AIDS. Chemical synthesis was used to prepare a series of unique analogues of the HIV-1 protease in which the flexibility of the "flap" structures (residues 37-61 in each monomer of the homodimeric protein molecule) was systematically varied. These analogue enzymes were further studied by X-ray crystallography, NMR relaxation, and pulse-EPR methods, in conjunction with molecular dynamics simulations. We show that conformational isomerization in the flaps is correlated with structural reorganization of residues in the active site, and that it is preorganization of the active site that is a rate-limiting factor in catalysis.
-===Crystal structure of [L-Ala51/51']HIV-1 protease with reduced isostere MVT-101 inhibitor===
+Protein conformational dynamics in the mechanism of HIV-1 protease catalysis.,Torbeev VY, Raghuraman H, Hamelberg D, Tonelli M, Westler WM, Perozo E, Kent SB Proc Natl Acad Sci U S A. 2011 Dec 27;108(52):20982-7. Epub 2011 Dec 8. PMID:22158985<ref>PMID:22158985</ref>
+From MEDLINE&reg;/PubMed&reg;, a database of the U.S. National Library of Medicine.<br>
-<!--
+</div>
-The line below this paragraph, {{ABSTRACT_PUBMED_22158985}}, adds the Publication Abstract to the page
+<div class="pdbe-citations 3haw" style="background-color:#fffaf0;"></div>
-(as it appears on PubMed at http://www.pubmed.gov), where 22158985 is the PubMed ID number.
--->
-{{ABSTRACT_PUBMED_22158985}}
-==About this Structure==
-[[3haw]] is a 2 chain structure of [[Virus protease]]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=3HAW OCA].
 ==See Also==
-*[[Virus protease]]
+*[[Immunodeficiency virus protease 3D structures|Immunodeficiency virus protease 3D structures]]
+== References ==
-==Reference==
+<references/>
-<ref group="xtra">PMID:022158985</ref><references group="xtra"/>
+__TOC__
+</StructureSection>
 [[Category: HIV-1 retropepsin]]
-[[Category: Kent, S B.H.]]
+[[Category: Large Structures]]
-[[Category: Torbeev, V Y.]]
+[[Category: Kent, S B.H]]
+[[Category: Torbeev, V Y]]
 [[Category: Beta barrel]]
 [[Category: Hydrolase]]
 [[Category: Hydrolase-hydrolase inhibitor complex]]