4drq: Difference between revisions

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-[[Image:4drq.png|left|200px]]
+==Exploration of Pipecolate Sulfonamides as Binders of the FK506-Binding Proteins 51 and 52: Complex of FKBP51 with 2-(3-((R)-1-((S)-1-(3,5-dichlorophenylsulfonyl)piperidine-2-carbonyloxy)-3-(3,4-dimethoxy -phenyl)propyl)phenoxy)acetic acid==
+<StructureSection load='4drq' size='340' side='right' caption='[[4drq]], [[Resolution|resolution]] 1.00&Aring;' scene=''>
+== Structural highlights ==
+<table><tr><td colspan='2'>[[4drq]] is a 1 chain structure with sequence from [http://en.wikipedia.org/wiki/Homo_sapiens Homo sapiens]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=4DRQ OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=4DRQ FirstGlance]. <br>
+</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=0OS:{3-[(1S)-1-[({(2S)-1-[(3,5-DICHLOROPHENYL)SULFONYL]PIPERIDIN-2-YL}CARBONYL)OXY]-3-(3,4-DIMETHOXYPHENYL)PROPYL]PHENOXY}ACETIC+ACID'>0OS</scene></td></tr>
+<tr id='related'><td class="sblockLbl"><b>[[Related_structure|Related:]]</b></td><td class="sblockDat">[[4drk|4drk]], [[4drm|4drm]], [[4drn|4drn]], [[4dro|4dro]], [[4drp|4drp]]</td></tr>
+<tr id='gene'><td class="sblockLbl"><b>[[Gene|Gene:]]</b></td><td class="sblockDat">AIG6, FKBP5, FKBP51 ([http://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=9606 Homo sapiens])</td></tr>
+<tr id='activity'><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[http://en.wikipedia.org/wiki/Peptidylprolyl_isomerase Peptidylprolyl isomerase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=5.2.1.8 5.2.1.8] </span></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=4drq FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4drq OCA], [http://www.rcsb.org/pdb/explore.do?structureId=4drq RCSB], [http://www.ebi.ac.uk/pdbsum/4drq PDBsum]</span></td></tr>
+</table>
+== Function ==
+[[http://www.uniprot.org/uniprot/FKBP5_HUMAN FKBP5_HUMAN]] Interacts with functionally mature heterooligomeric progesterone receptor complexes along with HSP90 and TEBP.
+<div style="background-color:#fffaf0;">
+== Publication Abstract from PubMed ==
+FK506-binding proteins (FKBP) 51 and 52 are co-chaperones that modulate the signal transduction of steroid hormone receptors. Single nucleotide polymorphisms in the gene encoding FKBP51 have been associated with a variety of psychiatric disorders. Rapamycin and FK506 are two macrocyclic natural products, which tightly bind to all these proteins. A bio-isosteric replacement of the alpha-ketoamide moiety of rapamycin and FK506 with a sulfonamide was envisaged with the retention of the conserved hydrogen bonds. A focused solid support-based synthesis protocol was developed, which led to ligands with submicromolar affinity for FKBP51 and FKBP52. The molecular binding mode for one sulfonamide analog was confirmed by X-ray crystallography.
-<!--
+Exploration of Pipecolate Sulfonamides as Binders of the FK506-Binding Proteins 51 and 52.,Gopalakrishnan R, Kozany C, Wang Y, Schneider S, Hoogeland B, Bracher A, Hausch F J Med Chem. 2012 Mar 29. PMID:22455398<ref>PMID:22455398</ref>
-The line below this paragraph, containing "STRUCTURE_4drq", creates the "Structure Box" on the page.
-You may change the PDB parameter (which sets the PDB file loaded into the applet)
-or the SCENE parameter (which sets the initial scene displayed when the page is loaded),
-or leave the SCENE parameter empty for the default display.
--->
-{{STRUCTURE_4drq|  PDB=4drq  |  SCENE=  }}
-===Exploration of Pipecolate Sulfonamides as Binders of the FK506-Binding Proteins 51 and 52: Complex of FKBP51 with 2-(3-((R)-1-((S)-1-(3,5-dichlorophenylsulfonyl)piperidine-2-carbonyloxy)-3-(3,4-dimethoxy -phenyl)propyl)phenoxy)acetic acid===
+From MEDLINE&reg;/PubMed&reg;, a database of the U.S. National Library of Medicine.<br>
+</div>
+==See Also==
-<!--
+*[[FK506 binding protein|FK506 binding protein]]
-The line below this paragraph, {{ABSTRACT_PUBMED_22455398}}, adds the Publication Abstract to the page
+== References ==
-(as it appears on PubMed at http://www.pubmed.gov), where 22455398 is the PubMed ID number.
+<references/>
--->
+__TOC__
-{{ABSTRACT_PUBMED_22455398}}
+</StructureSection>
-==About this Structure==
-[[4drq]] is a 1 chain structure with sequence from [http://en.wikipedia.org/wiki/Homo_sapiens Homo sapiens]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=4DRQ OCA].
-==Reference==
-<ref group="xtra">PMID:022455398</ref><references group="xtra"/>
 [[Category: Homo sapiens]]
 [[Category: Peptidylprolyl isomerase]]
-[[Category: Bracher, A.]]
+[[Category: Bracher, A]]
-[[Category: Gopalakrishnan, R.]]
+[[Category: Gopalakrishnan, R]]
-[[Category: Hausch, F.]]
+[[Category: Hausch, F]]
-[[Category: Hoogeland, B.]]
+[[Category: Hoogeland, B]]
-[[Category: Kozany, C.]]
+[[Category: Kozany, C]]
-[[Category: Schneider, S.]]
+[[Category: Schneider, S]]
-[[Category: Wang, Y.]]
+[[Category: Wang, Y]]
 [[Category: Fk-506 binding domain]]
 [[Category: Hsp90 cochaperone]]