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New page: left|200px<br /><applet load="1r2j" size="450" color="white" frame="true" align="right" spinBox="true" caption="1r2j, resolution 2.10Å" /> '''FkbI for Biosynthesi...
 
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[[Image:1r2j.gif|left|200px]]<br /><applet load="1r2j" size="450" color="white" frame="true" align="right" spinBox="true"
caption="1r2j, resolution 2.10&Aring;" />
'''FkbI for Biosynthesis of Methoxymalonyl Extender Unit of Fk520 Polyketide Immunosuppresant'''<br />


==Overview==
==FkbI for Biosynthesis of Methoxymalonyl Extender Unit of Fk520 Polyketide Immunosuppresant==
Polyketide synthases (PKSs) synthesize the polyketide cores of, pharmacologically important natural products such as the, immunosuppressants FK520 and FK506. Understanding polyketide biosynthesis, at atomic resolution could present new opportunities for chemo-enzymatic, synthesis of complex molecules. The crystal structure of FkbI, an enzyme, involved in the biosynthesis of the methoxymalonyl extender unit of FK520, was solved to 2.1A with an R(crys) of 24.4%. FkbI has a similar fold to, acyl-CoA dehydrogenases. Notwithstanding this similarity, the surface and, substrate-binding site of FkbI reveal key differences from other acyl-CoA, dehydrogenases, suggesting that FkbI may recognize an acyl-ACP substrate, rather than an acyl-CoA substrate. This structural observation coincided, the genetic experiment done by Carroll et al. J. Am. Chem. Soc., 124, (2002) 4176. Although an in vitro assay for FkbI remains elusive, the, structural basis for the substrate specificity of FkbI is analyzed by a, combination of sequence comparison, docking simulations and structural, analysis. A biochemical mechanism for the role of FkbI in the biosynthesis, of methoxymalonyl-ACP is proposed.
<StructureSection load='1r2j' size='340' side='right'caption='[[1r2j]], [[Resolution|resolution]] 2.10&Aring;' scene=''>
 
== Structural highlights ==
==About this Structure==
<table><tr><td colspan='2'>[[1r2j]] is a 1 chain structure with sequence from [https://en.wikipedia.org/wiki/Streptomyces_hygroscopicus Streptomyces hygroscopicus]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=1R2J OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=1R2J FirstGlance]. <br>
1R2J is a [http://en.wikipedia.org/wiki/Single_protein Single protein] structure of sequence from [http://en.wikipedia.org/wiki/Streptomyces_hygroscopicus Streptomyces hygroscopicus] with FAD as [http://en.wikipedia.org/wiki/ligand ligand]. Full crystallographic information is available from [http://ispc.weizmann.ac.il/oca-bin/ocashort?id=1R2J OCA].  
</td></tr><tr id='method'><td class="sblockLbl"><b>[[Empirical_models|Method:]]</b></td><td class="sblockDat" id="methodDat">X-ray diffraction, [[Resolution|Resolution]] 2.1&#8491;</td></tr>
 
<tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=FAD:FLAVIN-ADENINE+DINUCLEOTIDE'>FAD</scene></td></tr>
==Reference==
<tr id='resources'><td class="sblockLbl"><b>Resources:</b></td><td class="sblockDat"><span class='plainlinks'>[https://proteopedia.org/fgij/fg.htm?mol=1r2j FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=1r2j OCA], [https://pdbe.org/1r2j PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=1r2j RCSB], [https://www.ebi.ac.uk/pdbsum/1r2j PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=1r2j ProSAT]</span></td></tr>
Crystal structure of an Acyl-ACP dehydrogenase from the FK520 polyketide biosynthetic pathway: insights into extender unit biosynthesis., Watanabe K, Khosla C, Stroud RM, Tsai SC, J Mol Biol. 2003 Nov 28;334(3):435-44. PMID:[http://ispc.weizmann.ac.il//pmbin/getpm?pmid=14623185 14623185]
</table>
[[Category: Single protein]]
== Function ==
[https://www.uniprot.org/uniprot/Q9KIE5_STRHY Q9KIE5_STRHY]
== 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/r2/1r2j_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=1r2j ConSurf].
<div style="clear:both"></div>
__TOC__
</StructureSection>
[[Category: Large Structures]]
[[Category: Streptomyces hygroscopicus]]
[[Category: Streptomyces hygroscopicus]]
[[Category: Khosla, C.]]
[[Category: Khosla C]]
[[Category: Stroud, R.M.]]
[[Category: Stroud RM]]
[[Category: Tsai, S.C.]]
[[Category: Tsai S-C]]
[[Category: Watanabe, K.]]
[[Category: Watanabe K]]
[[Category: FAD]]
[[Category: fk520; fk506; polyketide synthase; polyketide; acyl-coa dehydrogenase; crystal structure; aldehyde dehydrogenase]]
 
''Page seeded by [http://ispc.weizmann.ac.il/oca OCA ] on Sat Nov 24 21:58:48 2007''

Latest revision as of 08:19, 14 February 2024

FkbI for Biosynthesis of Methoxymalonyl Extender Unit of Fk520 Polyketide Immunosuppresant

1r2j, resolution 2.10Å

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