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[[Image:2bw7.png|left|200px]]


{{STRUCTURE_2bw7| PDB=2bw7 | SCENE= }}
==A novel mechanism for adenylyl cyclase inhibition from the crystal structure of its complex with catechol estrogen==
<StructureSection load='2bw7' size='340' side='right'caption='[[2bw7]], [[Resolution|resolution]] 2.30&Aring;' scene=''>
== Structural highlights ==
<table><tr><td colspan='2'>[[2bw7]] is a 4 chain structure with sequence from [https://en.wikipedia.org/wiki/Arthrospira_platensis Arthrospira platensis]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=2BW7 OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=2BW7 FirstGlance]. <br>
</td></tr><tr id='method'><td class="sblockLbl"><b>[[Empirical_models|Method:]]</b></td><td class="sblockDat" id="methodDat">X-ray diffraction, [[Resolution|Resolution]] 2.3&#8491;</td></tr>
<tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=APC:DIPHOSPHOMETHYLPHOSPHONIC+ACID+ADENOSYL+ESTER'>APC</scene>, <scene name='pdbligand=CA:CALCIUM+ION'>CA</scene>, <scene name='pdbligand=ECS:2,3,17BETA-TRIHYDROXY-1,3,5(10)-ESTRATRIENE'>ECS</scene>, <scene name='pdbligand=MG:MAGNESIUM+ION'>MG</scene></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=2bw7 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=2bw7 OCA], [https://pdbe.org/2bw7 PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=2bw7 RCSB], [https://www.ebi.ac.uk/pdbsum/2bw7 PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=2bw7 ProSAT]</span></td></tr>
</table>
== Function ==
[https://www.uniprot.org/uniprot/O32393_ARTPT O32393_ARTPT]
== 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/bw/2bw7_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/main_output.php?pdb_ID=2bw7 ConSurf].
<div style="clear:both"></div>
<div style="background-color:#fffaf0;">
== Publication Abstract from PubMed ==
Catechol estrogens are steroid metabolites that elicit physiological responses through binding to a variety of cellular targets. We show here that catechol estrogens directly inhibit soluble adenylyl cyclases and the abundant trans-membrane adenylyl cyclases. Catechol estrogen inhibition is non-competitive with respect to the substrate ATP, and we solved the crystal structure of a catechol estrogen bound to a soluble adenylyl cyclase from Spirulina platensis in complex with a substrate analog. The catechol estrogen is bound to a newly identified, conserved hydrophobic patch near the active center but distinct from the ATP-binding cleft. Inhibitor binding leads to a chelating interaction between the catechol estrogen hydroxyl groups and the catalytic magnesium ion, distorting the active site and trapping the enzyme substrate complex in a non-productive conformation. This novel inhibition mechanism likely applies to other adenylyl cyclase inhibitors, and the identified ligand-binding site has important implications for the development of specific adenylyl cyclase inhibitors.


===A NOVEL MECHANISM FOR ADENYLYL CYCLASE INHIBITION FROM THE CRYSTAL STRUCTURE OF ITS COMPLEX WITH CATECHOL ESTROGEN===
A novel mechanism for adenylyl cyclase inhibition from the crystal structure of its complex with catechol estrogen.,Steegborn C, Litvin TN, Hess KC, Capper AB, Taussig R, Buck J, Levin LR, Wu H J Biol Chem. 2005 Sep 9;280(36):31754-9. Epub 2005 Jul 7. PMID:16002394<ref>PMID:16002394</ref>


{{ABSTRACT_PUBMED_16002394}}
From MEDLINE&reg;/PubMed&reg;, a database of the U.S. National Library of Medicine.<br>
 
</div>
==About this Structure==
<div class="pdbe-citations 2bw7" style="background-color:#fffaf0;"></div>
[[2bw7]] is a 4 chain structure of [[Adenylyl cyclase]] with sequence from [http://en.wikipedia.org/wiki/Arthrospira_platensis Arthrospira platensis]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=2BW7 OCA].


==See Also==
==See Also==
*[[Adenylyl cyclase|Adenylyl cyclase]]
*[[3D Adenylyl cyclase 3D structures|3D Adenylyl cyclase 3D structures]]
 
== References ==
==Reference==
<references/>
<ref group="xtra">PMID:016002394</ref><references group="xtra"/>
__TOC__
[[Category: Adenylate cyclase]]
</StructureSection>
[[Category: Arthrospira platensis]]
[[Category: Arthrospira platensis]]
[[Category: Buck, J.]]
[[Category: Large Structures]]
[[Category: Capper, A B.]]
[[Category: Buck J]]
[[Category: Hess, K C.]]
[[Category: Capper AB]]
[[Category: Levin, L R.]]
[[Category: Hess KC]]
[[Category: Litvin, T N.]]
[[Category: Levin LR]]
[[Category: Steegborn, C.]]
[[Category: Litvin TN]]
[[Category: Taussig, R.]]
[[Category: Steegborn C]]
[[Category: Wu, H.]]
[[Category: Taussig R]]
[[Category: Adenylyl cyclase]]
[[Category: Wu H]]
[[Category: Camp signaling]]
[[Category: Catechol estrogen]]
[[Category: Inhibitor complex]]
[[Category: Lyase]]
[[Category: Oxidoreductase]]
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