This old version of Proteopedia is provided for student assignments while the new version is undergoing repairs. Content and edits done in this old version of Proteopedia after March 1, 2026 will eventually be lost when it is retired in about June of 2026.

Apply for new accounts at the new Proteopedia. Your logins will work in both the old and new versions.


2qo1

From Proteopedia

(Difference between revisions)
Jump to: navigation, search
Current revision (11:37, 30 August 2023) (edit) (undo)
 
(12 intermediate revisions not shown.)
Line 1: Line 1:
-
{{Seed}}
 
-
[[Image:2qo1.png|left|200px]]
 
-
<!--
+
==2.6 Angstrom Crystal Structure of the Complex Between 11-(decyldithiocarbonyloxy)-undecanoic acid and Mycobacterium Tuberculosis FabH.==
-
The line below this paragraph, containing "STRUCTURE_2qo1", creates the "Structure Box" on the page.
+
<StructureSection load='2qo1' size='340' side='right'caption='[[2qo1]], [[Resolution|resolution]] 2.60&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'>[[2qo1]] is a 2 chain structure with sequence from [https://en.wikipedia.org/wiki/Mycobacterium_tuberculosis Mycobacterium tuberculosis]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=2QO1 OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=2QO1 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]] 2.6&#8491;</td></tr>
-
-->
+
<tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=D1T:DECANE-1-THIOL'>D1T</scene>, <scene name='pdbligand=VZZ:11-[(MERCAPTOCARBONYL)OXY]UNDECANOIC+ACID'>VZZ</scene></td></tr>
-
{{STRUCTURE_2qo1| PDB=2qo1 | SCENE= }}
+
<tr id='resources'><td class="sblockLbl"><b>Resources:</b></td><td class="sblockDat"><span class='plainlinks'>[https://proteopedia.org/fgij/fg.htm?mol=2qo1 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=2qo1 OCA], [https://pdbe.org/2qo1 PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=2qo1 RCSB], [https://www.ebi.ac.uk/pdbsum/2qo1 PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=2qo1 ProSAT]</span></td></tr>
 +
</table>
 +
== Function ==
 +
[https://www.uniprot.org/uniprot/FABH_MYCTU FABH_MYCTU] Catalyzes the condensation reaction of fatty acid synthesis by the addition to an acyl acceptor of two carbons from malonyl-ACP. Catalyzes the first condensation reaction which initiates fatty acid synthesis and may therefore play a role in governing the total rate of fatty acid production. Possesses both acetoacetyl-ACP synthase and acetyl transacylase activities. Has some substrate specificity for long chain acyl-CoA such as myristoyl-CoA. Does not use acyl-CoA as primer. Its substrate specificity determines the biosynthesis of mycolic acid fatty acid chain, which is characteristic of mycobacterial cell wall.<ref>PMID:10840036</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/qo/2qo1_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=2qo1 ConSurf].
 +
<div style="clear:both"></div>
 +
<div style="background-color:#fffaf0;">
 +
== Publication Abstract from PubMed ==
 +
Mycobacterium tuberculosis FabH initiates type II fatty acid synthase-catalyzed formation of the long chain (C(16)-C(22)) acyl-coenzyme A (CoA) precursors of mycolic acids, which are major constituents of the bacterial cell envelope. Crystal structures of M. tuberculosis FabH (mtFabH) show the substrate binding site to be a buried, extended L-shaped channel with only a single solvent access portal. Entrance of an acyl-CoA substrate through the solvent portal would require energetically unfavorable reptational threading of the substrate to its reactive position. Using a class of FabH inhibitors, we have tested an alternative hypothesis that FabH exists in an "open" form during substrate binding and product release, and a "closed" form in which catalysis and intermediate steps occur. This hypothesis is supported by mass spectrometric analysis of the product profile and crystal structures of complexes of mtFabH with these inhibitors.
-
===2.6 Angstrom Crystal Structure of the Complex Between 11-(decyldithiocarbonyloxy)-undecanoic acid and Mycobacterium Tuberculosis FabH.===
+
Separate entrance and exit portals for ligand traffic in Mycobacterium tuberculosis FabH.,Sachdeva S, Musayev FN, Alhamadsheh MM, Scarsdale JN, Wright HT, Reynolds KA Chem Biol. 2008 Apr;15(4):402-12. PMID:18420147<ref>PMID:18420147</ref>
 +
From MEDLINE&reg;/PubMed&reg;, a database of the U.S. National Library of Medicine.<br>
 +
</div>
 +
<div class="pdbe-citations 2qo1" style="background-color:#fffaf0;"></div>
-
<!--
+
==See Also==
-
The line below this paragraph, {{ABSTRACT_PUBMED_18420147}}, adds the Publication Abstract to the page
+
*[[Acyl carrier protein synthase 3D structures|Acyl carrier protein synthase 3D structures]]
-
(as it appears on PubMed at http://www.pubmed.gov), where 18420147 is the PubMed ID number.
+
== References ==
-
-->
+
<references/>
-
{{ABSTRACT_PUBMED_18420147}}
+
__TOC__
-
 
+
</StructureSection>
-
==About this Structure==
+
[[Category: Large Structures]]
-
2QO1 is a [[Single protein]] structure of sequence from [http://en.wikipedia.org/wiki/Mycobacterium_tuberculosis Mycobacterium tuberculosis]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=2QO1 OCA].
+
-
 
+
-
==Reference==
+
-
Separate Entrance and Exit Portals for Ligand Traffic in Mycobacterium tuberculosis FabH., Sachdeva S, Musayev FN, Alhamadsheh MM, Scarsdale JN, Wright HT, Reynolds KA, Chem Biol. 2008 Apr;15(4):402-12. PMID:[http://www.ncbi.nlm.nih.gov/pubmed/18420147 18420147]
+
-
 
+
-
Crystal structure of the Mycobacterium tuberculosis beta-ketoacyl-acyl carrier protein synthase III., Scarsdale JN, Kazanina G, He X, Reynolds KA, Wright HT, J Biol Chem. 2001 Jun 8;276(23):20516-22. Epub 2001 Mar 8. PMID:[http://www.ncbi.nlm.nih.gov/pubmed/11278743 11278743]
+
-
 
+
-
Crystal structure of a substrate complex of Mycobacterium tuberculosis beta-ketoacyl-acyl carrier protein synthase III (FabH) with lauroyl-coenzyme A., Musayev F, Sachdeva S, Scarsdale JN, Reynolds KA, Wright HT, J Mol Biol. 2005 Mar 11;346(5):1313-21. Epub 2005 Jan 20. PMID:[http://www.ncbi.nlm.nih.gov/pubmed/15713483 15713483]
+
-
[[Category: Beta-ketoacyl-acyl-carrier-protein synthase I]]
+
[[Category: Mycobacterium tuberculosis]]
[[Category: Mycobacterium tuberculosis]]
-
[[Category: Single protein]]
+
[[Category: Alhamadsheh M]]
-
[[Category: Alhamadsheh, M.]]
+
[[Category: Musayev F]]
-
[[Category: Musayev, F.]]
+
[[Category: Reynolds KA]]
-
[[Category: Reynolds, K A.]]
+
[[Category: Sachdeva S]]
-
[[Category: Sachdeva, S.]]
+
[[Category: Scarsdale JN]]
-
[[Category: Scarsdale, J N.]]
+
[[Category: Wright HT]]
-
[[Category: Wright, H T.]]
+
-
[[Category: Acyltransferase]]
+
-
[[Category: Cytoplasm]]
+
-
[[Category: Enzyme inhibitor complex]]
+
-
[[Category: Fatty acid biosynthesis]]
+
-
[[Category: Lipid synthesis]]
+
-
[[Category: Mechanism based inhibitor]]
+
-
[[Category: Multifunctional enzyme]]
+
-
[[Category: Myobacterium tuberculosis]]
+
-
[[Category: Structural basis for substrate specificity]]
+
-
[[Category: Substrate entry and exit]]
+
-
[[Category: Transferase]]
+
-
 
+
-
''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Sun Jul 27 17:52:06 2008''
+

Current revision

2.6 Angstrom Crystal Structure of the Complex Between 11-(decyldithiocarbonyloxy)-undecanoic acid and Mycobacterium Tuberculosis FabH.

PDB ID 2qo1

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/2qo1"
Personal tools