2cma: Difference between revisions

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-[[Image:2cma.png|left|200px]]
+==STRUCTURAL BASIS FOR INHIBITION OF PROTEIN TYROSINE PHOSPHATASE 1B BY ISOTHIAZOLIDINONE HETEROCYCLIC PHOSPHONATE MIMETICS==
+<StructureSection load='2cma' size='340' side='right' caption='[[2cma]], [[Resolution|resolution]] 2.30&Aring;' scene=''>
+== Structural highlights ==
+<table><tr><td colspan='2'>[[2cma]] 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=2CMA OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=2CMA FirstGlance]. <br>
+</td></tr><tr><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=F20:N-BENZOYL-L-PHENYLALANYL-4-[(5S)-1,1-DIOXIDO-3-OXOISOTHIAZOLIDIN-5-YL]-L-PHENYLALANINAMIDE'>F20</scene><br>
+<tr><td class="sblockLbl"><b>[[Related_structure|Related:]]</b></td><td class="sblockDat">[[1a5y|1a5y]], [[1aax|1aax]], [[1bzc|1bzc]], [[1bzh|1bzh]], [[1bzj|1bzj]], [[1c83|1c83]], [[1c84|1c84]], [[1c85|1c85]], [[1c86|1c86]], [[1c87|1c87]], [[1c88|1c88]], [[1ecv|1ecv]], [[1een|1een]], [[1eeo|1eeo]], [[1g1f|1g1f]], [[1g1g|1g1g]], [[1g1h|1g1h]], [[1g7f|1g7f]], [[1g7g|1g7g]], [[1gfy|1gfy]], [[1i57|1i57]], [[1jf7|1jf7]], [[1kak|1kak]], [[1kav|1kav]], [[1l8g|1l8g]], [[1lqf|1lqf]], [[1nl9|1nl9]], [[1nny|1nny]], [[1no6|1no6]], [[1nwe|1nwe]], [[1nwl|1nwl]], [[1nz7|1nz7]], [[1oem|1oem]], [[1oeo|1oeo]], [[1oes|1oes]], [[1oet|1oet]], [[1oeu|1oeu]], [[1oev|1oev]], [[1ony|1ony]], [[1onz|1onz]], [[1pa1|1pa1]], [[1ph0|1ph0]], [[1ptt|1ptt]], [[1ptu|1ptu]], [[1ptv|1ptv]], [[1pty|1pty]], [[1pxh|1pxh]], [[1pyn|1pyn]], [[1q1m|1q1m]], [[1q6j|1q6j]], [[1q6m|1q6m]], [[1q6n|1q6n]], [[1q6p|1q6p]], [[1q6s|1q6s]], [[1q6t|1q6t]], [[1qxk|1qxk]], [[1sug|1sug]], [[1t48|1t48]], [[1t49|1t49]], [[1t4j|1t4j]], [[1wax|1wax]], [[1xbo|1xbo]], [[2azr|2azr]], [[2b07|2b07]], [[2b4s|2b4s]], [[2bgd|2bgd]], [[2bge|2bge]], [[2cm2|2cm2]], [[2cm3|2cm3]], [[2cm7|2cm7]], [[2cm8|2cm8]], [[2cmb|2cmb]], [[2cmc|2cmc]], [[2cne|2cne]], [[2cnf|2cnf]], [[2cng|2cng]], [[2cnh|2cnh]], [[2cni|2cni]], [[2f6f|2f6f]], [[2f6t|2f6t]], [[2f6v|2f6v]], [[2f6w|2f6w]], [[2f6y|2f6y]], [[2f6z|2f6z]], [[2f70|2f70]], [[2f71|2f71]], [[2fjm|2fjm]], [[2fjn|2fjn]], [[2hnp|2hnp]], [[2hnq|2hnq]]</td></tr>
+<tr><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[http://en.wikipedia.org/wiki/Protein-tyrosine-phosphatase Protein-tyrosine-phosphatase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=3.1.3.48 3.1.3.48] </span></td></tr>
+<tr><td class="sblockLbl"><b>Resources:</b></td><td class="sblockDat"><span class='plainlinks'>[http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=2cma FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=2cma OCA], [http://www.rcsb.org/pdb/explore.do?structureId=2cma RCSB], [http://www.ebi.ac.uk/pdbsum/2cma PDBsum]</span></td></tr>
+<table>
+== Evolutionary Conservation ==
+[[Image:Consurf_key_small.gif|200px|right]]
+Check<jmol>
+  <jmolCheckbox>
+    <scriptWhenChecked>select protein; define ~consurf_to_do selected; consurf_initial_scene = true; script "/wiki/ConSurf/cm/2cma_consurf.spt"</scriptWhenChecked>
+    <scriptWhenUnchecked>script /wiki/extensions/Proteopedia/spt/initialview01.spt</scriptWhenUnchecked>
+    <text>to colour the structure by Evolutionary Conservation</text>
+  </jmolCheckbox>
+</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/chain_selection.php?pdb_ID=2ata ConSurf].
+<div style="clear:both"></div>
+<div style="background-color:#fffaf0;">
+== Publication Abstract from PubMed ==
+Crystal structures of protein-tyrosine phosphatase 1B in complex with compounds bearing a novel isothiazolidinone (IZD) heterocyclic phosphonate mimetic reveal that the heterocycle is highly complementary to the catalytic pocket of the protein. The heterocycle participates in an extensive network of hydrogen bonds with the backbone of the phosphate-binding loop, Phe(182) of the flap, and the side chain of Arg(221). When substituted with a phenol, the small inhibitor induces the closed conformation of the protein and displaces all waters in the catalytic pocket. Saturated IZD-containing peptides are more potent inhibitors than unsaturated analogs because the IZD heterocycle and phenyl ring directly attached to it bind in a nearly orthogonal orientation with respect to each other, a conformation that is close to the energy minimum of the saturated IZD-phenyl moiety. These results explain why the heterocycle is a potent phosphonate mimetic and an ideal starting point for designing small nonpeptidic inhibitors.
-{{STRUCTURE_2cma|  PDB=2cma  |  SCENE=  }}
+Structural basis for inhibition of protein-tyrosine phosphatase 1B by isothiazolidinone heterocyclic phosphonate mimetics.,Ala PJ, Gonneville L, Hillman MC, Becker-Pasha M, Wei M, Reid BG, Klabe R, Yue EW, Wayland B, Douty B, Polam P, Wasserman Z, Bower M, Combs AP, Burn TC, Hollis GF, Wynn R J Biol Chem. 2006 Oct 27;281(43):32784-95. Epub 2006 Aug 17. PMID:16916797<ref>PMID:16916797</ref>
-===STRUCTURAL BASIS FOR INHIBITION OF PROTEIN TYROSINE PHOSPHATASE 1B BY ISOTHIAZOLIDINONE HETEROCYCLIC PHOSPHONATE MIMETICS===
+From MEDLINE&reg;/PubMed&reg;, a database of the U.S. National Library of Medicine.<br>
+</div>
-{{ABSTRACT_PUBMED_16916797}}
-==About this Structure==
-[[2cma]] 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=2CMA OCA].
 ==See Also==
 *[[Tyrosine phosphatase|Tyrosine phosphatase]]
+== References ==
-==Reference==
+<references/>
-<ref group="xtra">PMID:016916797</ref><references group="xtra"/>
+__TOC__
+</StructureSection>
 [[Category: Homo sapiens]]
 [[Category: Protein-tyrosine-phosphatase]]