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5emh

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==Crystal structure of Iridoid Synthase from Cantharanthus roseus in complex with NADP+==
==Crystal structure of Iridoid Synthase from Cantharanthus roseus in complex with NADP+==
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<StructureSection load='5emh' size='340' side='right' caption='[[5emh]], [[Resolution|resolution]] 2.10&Aring;' scene=''>
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<StructureSection load='5emh' size='340' side='right'caption='[[5emh]], [[Resolution|resolution]] 2.10&Aring;' scene=''>
== Structural highlights ==
== Structural highlights ==
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<table><tr><td colspan='2'>[[5emh]] is a 1 chain structure with sequence from [http://en.wikipedia.org/wiki/Catro Catro]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=5EMH OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=5EMH FirstGlance]. <br>
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<table><tr><td colspan='2'>[[5emh]] is a 1 chain structure with sequence from [https://en.wikipedia.org/wiki/Catharanthus_roseus Catharanthus roseus]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=5EMH OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=5EMH FirstGlance]. <br>
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</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=NAP:NADP+NICOTINAMIDE-ADENINE-DINUCLEOTIDE+PHOSPHATE'>NAP</scene></td></tr>
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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]] 2.1&#8491;</td></tr>
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<tr id='activity'><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[http://en.wikipedia.org/wiki/Iridoid_synthase Iridoid synthase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=1.3.1.99 1.3.1.99] </span></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=NAP:NADP+NICOTINAMIDE-ADENINE-DINUCLEOTIDE+PHOSPHATE'>NAP</scene></td></tr>
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<tr id='resources'><td class="sblockLbl"><b>Resources:</b></td><td class="sblockDat"><span class='plainlinks'>[http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=5emh FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=5emh OCA], [http://pdbe.org/5emh PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=5emh RCSB], [http://www.ebi.ac.uk/pdbsum/5emh PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=5emh ProSAT]</span></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=5emh FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=5emh OCA], [https://pdbe.org/5emh PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=5emh RCSB], [https://www.ebi.ac.uk/pdbsum/5emh PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=5emh ProSAT]</span></td></tr>
</table>
</table>
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== Function ==
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[https://www.uniprot.org/uniprot/IRIS_CATRO IRIS_CATRO]
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<div style="background-color:#fffaf0;">
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== Publication Abstract from PubMed ==
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Iridoid synthases belong to the family of short-chain dehydrogenase/reductase involved in the biosynthesis of iridoids. Despite having high sequence and structural homology with progesterone 5beta-reductase, these enzymes exhibit differential substrate specificities. Previously, two loops, L1 and L2 at substrate-binding pocket, were suggested to be involved in generating substrate specificity. However, the structural basis of specificity determinants was elusive. Here, combining sequence and structural analysis, site-directed mutagenesis, and molecular dynamics simulations, we have shown that iridoid synthase contains two channels for substrate entry whose geometries are altered by L1-L2 dynamics, primarily orchestrated by interactions of residues Glu161 and Gly162 of L1 and Asn358 of L2. A complex interplay of these interactions confer the substrate specificity to the enzyme.
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Dynamics of loops at the substrate entry channel determine the specificity of iridoid synthases.,Sandholu AS, Mohole M, Duax WL, Thulasiram HV, Sengupta D, Kulkarni K FEBS Lett. 2018 Aug;592(15):2624-2635. doi: 10.1002/1873-3468.13174. Epub 2018, Jul 10. PMID:29944733<ref>PMID:29944733</ref>
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From MEDLINE&reg;/PubMed&reg;, a database of the U.S. National Library of Medicine.<br>
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</div>
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<div class="pdbe-citations 5emh" style="background-color:#fffaf0;"></div>
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== References ==
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<references/>
__TOC__
__TOC__
</StructureSection>
</StructureSection>
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[[Category: Catro]]
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[[Category: Catharanthus roseus]]
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[[Category: Iridoid synthase]]
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[[Category: Large Structures]]
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[[Category: Kulkarni, K A]]
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[[Category: Kulkarni KA]]
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[[Category: Sandholu, A]]
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[[Category: Sandholu A]]
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[[Category: Thulasiram, H V]]
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[[Category: Thulasiram HV]]
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[[Category: Complex]]
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[[Category: Nadph]]
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[[Category: Oxidoreductase]]
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[[Category: Reductase]]
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Current revision

Crystal structure of Iridoid Synthase from Cantharanthus roseus in complex with NADP+

PDB ID 5emh

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