3h0s

From Proteopedia

(Difference between revisions)
Jump to: navigation, search
Current revision (07:14, 6 September 2023) (edit) (undo)
 
(7 intermediate revisions not shown.)
Line 1: Line 1:
-
{{Seed}}
 
-
[[Image:3h0s.jpg|left|200px]]
 
-
<!--
+
==Crystal structure of the carboxyltransferase domain of acetyl-coenzyme A carboxylase in complex with compound 7==
-
The line below this paragraph, containing "STRUCTURE_3h0s", creates the "Structure Box" on the page.
+
<StructureSection load='3h0s' size='340' side='right'caption='[[3h0s]], [[Resolution|resolution]] 2.43&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'>[[3h0s]] is a 3 chain structure with sequence from [https://en.wikipedia.org/wiki/Saccharomyces_cerevisiae Saccharomyces cerevisiae]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=3H0S OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=3H0S FirstGlance]. <br>
-
or leave the SCENE parameter empty for the default display.
+
</td></tr><tr id='method'><td class="sblockLbl"><b>[[Empirical_models|Method:]]</b></td><td class="sblockDat" id="methodDat">X-ray diffraction, [[Resolution|Resolution]] 2.43&#8491;</td></tr>
-
-->
+
<tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=B38:1-(1H-INDAZOL-7-YLCARBONYL)-6-METHYLSPIRO[CHROMENE-2,4-PIPERIDIN]-4(3H)-ONE'>B38</scene>, <scene name='pdbligand=SO4:SULFATE+ION'>SO4</scene></td></tr>
-
{{STRUCTURE_3h0s| PDB=3h0s | SCENE= }}
+
<tr id='resources'><td class="sblockLbl"><b>Resources:</b></td><td class="sblockDat"><span class='plainlinks'>[https://proteopedia.org/fgij/fg.htm?mol=3h0s FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=3h0s OCA], [https://pdbe.org/3h0s PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=3h0s RCSB], [https://www.ebi.ac.uk/pdbsum/3h0s PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=3h0s ProSAT]</span></td></tr>
 +
</table>
 +
== Function ==
 +
[https://www.uniprot.org/uniprot/ACAC_YEAST ACAC_YEAST] Carries out three functions: biotin carboxyl carrier protein, biotin carboxylase and carboxyltransferase. Involved in the synthesis of very-long-chain fatty acid synthesis which is required to maintain a functional nuclear envelope. Required for acylation and vacuolar membrane association of VAC8 which is necessary to maintain a normal morphology of the vacuole.<ref>PMID:6108218</ref> <ref>PMID:6103540</ref> <ref>PMID:8943372</ref> <ref>PMID:10757783</ref> <ref>PMID:12730220</ref>
 +
== 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/h0/3h0s_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=3h0s ConSurf].
 +
<div style="clear:both"></div>
 +
<div style="background-color:#fffaf0;">
 +
== Publication Abstract from PubMed ==
 +
Screening Pfizer's compound library resulted in the identification of weak acetyl-CoA carboxylase inhibitors, from which were obtained rACC1 CT-domain co-crystal structures. Utilizing HTS hits and structure-based drug discovery, a more rigid inhibitor was designed and led to the discovery of sub-micromolar, spirochromanone non-specific ACC inhibitors. Low nanomolar, non-specific ACC-isozyme inhibitors that exhibited good rat pharmacokinetics were obtained from this chemotype.
-
===Crystal structure of the carboxyltransferase domain of acetyl-coenzyme A carboxylase in complex with compound 7===
+
Discovery of small molecule isozyme non-specific inhibitors of mammalian acetyl-CoA carboxylase 1 and 2.,Corbett JW, Freeman-Cook KD, Elliott R, Vajdos F, Rajamohan F, Kohls D, Marr E, Zhang H, Tong L, Tu M, Murdande S, Doran SD, Houser JA, Song W, Jones CJ, Coffey SB, Buzon L, Minich ML, Dirico KJ, Tapley S, McPherson RK, Sugarman E, Harwood HJ Jr, Esler W Bioorg Med Chem Lett. 2010 Apr 1;20(7):2383-8. Epub 2009 Apr 24. PMID:20219367<ref>PMID:20219367</ref>
 +
From MEDLINE&reg;/PubMed&reg;, a database of the U.S. National Library of Medicine.<br>
 +
</div>
 +
<div class="pdbe-citations 3h0s" style="background-color:#fffaf0;"></div>
-
<!--
+
==See Also==
-
The line below this paragraph, {{ABSTRACT_PUBMED_20219367}}, adds the Publication Abstract to the page
+
*[[Acetyl-CoA carboxylase 3D structures|Acetyl-CoA carboxylase 3D structures]]
-
(as it appears on PubMed at http://www.pubmed.gov), where 20219367 is the PubMed ID number.
+
== References ==
-
-->
+
<references/>
-
{{ABSTRACT_PUBMED_20219367}}
+
__TOC__
-
 
+
</StructureSection>
-
==About this Structure==
+
[[Category: Large Structures]]
-
3H0S is a 3 chains structure with sequences from [http://en.wikipedia.org/wiki/Saccharomyces_cerevisiae Saccharomyces cerevisiae]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=3H0S OCA].
+
-
 
+
-
==Reference==
+
-
<ref group="xtra">PMID:20219367</ref><references group="xtra"/>
+
[[Category: Saccharomyces cerevisiae]]
[[Category: Saccharomyces cerevisiae]]
-
[[Category: Vajdos, F.]]
+
[[Category: Vajdos F]]
-
[[Category: Acc]]
+
-
[[Category: Acetyl-coa carboxylase]]
+
-
[[Category: Atp-binding]]
+
-
[[Category: Biotin]]
+
-
[[Category: Carboxyltransferase]]
+
-
[[Category: Ct]]
+
-
[[Category: Cytoplasm]]
+
-
[[Category: Fatty acid biosynthesis]]
+
-
[[Category: Inhibitor]]
+
-
[[Category: Ligase]]
+
-
[[Category: Lipid synthesis]]
+
-
[[Category: Metal-binding]]
+
-
[[Category: Multifunctional enzyme]]
+
-
[[Category: Nucleotide-binding]]
+
-
[[Category: Transferase]]
+
-
 
+
-
''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Wed Apr 7 10:41:18 2010''
+

Current revision

Crystal structure of the carboxyltransferase domain of acetyl-coenzyme A carboxylase in complex with compound 7

PDB ID 3h0s

Drag the structure with the mouse to rotate

Proteopedia Page Contributors and Editors (what is this?)

OCA

Retrieved from "http://52.214.119.220/wiki/index.php/3h0s"
Personal tools