1cml

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(New page: 200px<br /><applet load="1cml" size="450" color="white" frame="true" align="right" spinBox="true" caption="1cml, resolution 1.690&Aring;" /> '''CHALCONE SYNTHASE F...)
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[[Image:1cml.gif|left|200px]]<br /><applet load="1cml" size="450" color="white" frame="true" align="right" spinBox="true"
 
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caption="1cml, resolution 1.690&Aring;" />
 
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'''CHALCONE SYNTHASE FROM ALFALFA COMPLEXED WITH MALONYL-COA'''<br />
 
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==Overview==
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==CHALCONE SYNTHASE FROM ALFALFA COMPLEXED WITH MALONYL-COA==
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Chalcone synthase (CHS) is pivotal for the biosynthesis of flavonoid, antimicrobial phytoalexins and anthocyanin pigments in plants. It produces, chalcone by condensing one p-coumaroyl- and three malonyl-coenzyme A, thioesters into a polyketide reaction intermediate that cyclizes. The, crystal structures of CHS alone and complexed with substrate and product, analogs reveal the active site architecture that defines the sequence and, chemistry of multiple decarboxylation and condensation reactions and, provides a molecular understanding of the cyclization reaction leading to, chalcone synthesis. The structure of CHS complexed with resveratrol also, suggests how stilbene synthase, a related enzyme, uses the same substrates, and an alternate cyclization pathway to form resveratrol. By using the, three-dimensional structure and the large database of CHS-like sequences, we can identify proteins likely to possess novel substrate and product, specificity. The structure elucidates the chemical basis of plant, polyketide biosynthesis and provides a framework for engineering CHS-like, enzymes to produce new products.
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<StructureSection load='1cml' size='340' side='right'caption='[[1cml]], [[Resolution|resolution]] 1.69&Aring;' scene=''>
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== Structural highlights ==
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<table><tr><td colspan='2'>[[1cml]] is a 1 chain structure with sequence from [https://en.wikipedia.org/wiki/Medicago_sativa Medicago sativa]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=1CML OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=1CML FirstGlance]. <br>
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</td></tr><tr id='method'><td class="sblockLbl"><b>[[Empirical_models|Method:]]</b></td><td class="sblockDat" id="methodDat">X-ray diffraction, [[Resolution|Resolution]] 1.69&#8491;</td></tr>
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<tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=MLC:MALONYL-COENZYME+A'>MLC</scene>, <scene name='pdbligand=PIN:PIPERAZINE-N,N-BIS(2-ETHANESULFONIC+ACID)'>PIN</scene>, <scene name='pdbligand=SO4:SULFATE+ION'>SO4</scene></td></tr>
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<tr id='resources'><td class="sblockLbl"><b>Resources:</b></td><td class="sblockDat"><span class='plainlinks'>[https://proteopedia.org/fgij/fg.htm?mol=1cml FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=1cml OCA], [https://pdbe.org/1cml PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=1cml RCSB], [https://www.ebi.ac.uk/pdbsum/1cml PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=1cml ProSAT]</span></td></tr>
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</table>
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== Function ==
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[https://www.uniprot.org/uniprot/CHS2_MEDSA CHS2_MEDSA] The primary product of this enzyme is 4,2',4',6'-tetrahydroxychalcone (also termed naringenin-chalcone or chalcone) which can under specific conditions spontaneously isomerize into naringenin.<ref>PMID:10653632</ref> <ref>PMID:11732902</ref> <ref>PMID:11959984</ref> <ref>PMID:15380179</ref>
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== Evolutionary Conservation ==
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[[Image:Consurf_key_small.gif|200px|right]]
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Check<jmol>
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<jmolCheckbox>
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<scriptWhenChecked>; select protein; define ~consurf_to_do selected; consurf_initial_scene = true; script "/wiki/ConSurf/cm/1cml_consurf.spt"</scriptWhenChecked>
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<scriptWhenUnchecked>script /wiki/extensions/Proteopedia/spt/initialview01.spt</scriptWhenUnchecked>
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<text>to colour the structure by Evolutionary Conservation</text>
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</jmolCheckbox>
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</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=1cml ConSurf].
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<div style="clear:both"></div>
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<div style="background-color:#fffaf0;">
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== Publication Abstract from PubMed ==
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Chalcone synthase (CHS) is pivotal for the biosynthesis of flavonoid antimicrobial phytoalexins and anthocyanin pigments in plants. It produces chalcone by condensing one p-coumaroyl- and three malonyl-coenzyme A thioesters into a polyketide reaction intermediate that cyclizes. The crystal structures of CHS alone and complexed with substrate and product analogs reveal the active site architecture that defines the sequence and chemistry of multiple decarboxylation and condensation reactions and provides a molecular understanding of the cyclization reaction leading to chalcone synthesis. The structure of CHS complexed with resveratrol also suggests how stilbene synthase, a related enzyme, uses the same substrates and an alternate cyclization pathway to form resveratrol. By using the three-dimensional structure and the large database of CHS-like sequences, we can identify proteins likely to possess novel substrate and product specificity. The structure elucidates the chemical basis of plant polyketide biosynthesis and provides a framework for engineering CHS-like enzymes to produce new products.
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==About this Structure==
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Structure of chalcone synthase and the molecular basis of plant polyketide biosynthesis.,Ferrer JL, Jez JM, Bowman ME, Dixon RA, Noel JP Nat Struct Biol. 1999 Aug;6(8):775-84. PMID:10426957<ref>PMID:10426957</ref>
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1CML is a [http://en.wikipedia.org/wiki/Single_protein Single protein] structure of sequence from [http://en.wikipedia.org/wiki/Medicago_sativa Medicago sativa] with SO4, MLC and PIN as [http://en.wikipedia.org/wiki/ligands ligands]. Active as [http://en.wikipedia.org/wiki/Naringenin-chalcone_synthase Naringenin-chalcone synthase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=2.3.1.74 2.3.1.74] Full crystallographic information is available from [http://ispc.weizmann.ac.il/oca-bin/ocashort?id=1CML OCA].
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==Reference==
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From MEDLINE&reg;/PubMed&reg;, a database of the U.S. National Library of Medicine.<br>
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Structure of chalcone synthase and the molecular basis of plant polyketide biosynthesis., Ferrer JL, Jez JM, Bowman ME, Dixon RA, Noel JP, Nat Struct Biol. 1999 Aug;6(8):775-84. PMID:[http://ispc.weizmann.ac.il//pmbin/getpm?pmid=10426957 10426957]
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</div>
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[[Category: Medicago sativa]]
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<div class="pdbe-citations 1cml" style="background-color:#fffaf0;"></div>
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[[Category: Naringenin-chalcone synthase]]
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[[Category: Single protein]]
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[[Category: Bowman, M.E.]]
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[[Category: Dixon, R.]]
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[[Category: Ferrer, J.L.]]
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[[Category: Jez, J.]]
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[[Category: Noel, J.P.]]
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[[Category: MLC]]
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[[Category: PIN]]
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[[Category: SO4]]
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[[Category: chalcone biosynthesis]]
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[[Category: polyketide synthase]]
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''Page seeded by [http://ispc.weizmann.ac.il/oca OCA ] on Tue Nov 20 12:35:02 2007''
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==See Also==
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*[[Chalcone synthase|Chalcone synthase]]
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== References ==
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<references/>
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__TOC__
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</StructureSection>
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[[Category: Large Structures]]
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[[Category: Medicago sativa]]
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[[Category: Bowman ME]]
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[[Category: Dixon R]]
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[[Category: Ferrer J-L]]
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[[Category: Jez J]]
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[[Category: Noel JP]]

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CHALCONE SYNTHASE FROM ALFALFA COMPLEXED WITH MALONYL-COA

PDB ID 1cml

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