6nkh: Difference between revisions

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~~'''Unreleased structure'''~~

~~The entry~~ 6nkh is ~~ON HOLD~~

==Structure of MalC Reductase/Diels-Alderase from Malbranchea aurantiaca==

~~Authors~~: ~~Dan~~, Q., ~~Newmister~~, S.A., ~~Smith~~, J.L., ~~Sherman~~, D.H.

== Structural highlights ==

<table><tr><td colspan='2'>[[6nkh]] is a 4 chain structure with sequence from [https://en.wikipedia.org/wiki/Malbranchea_aurantiaca Malbranchea aurantiaca]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=6NKH OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=6NKH FirstGlance]. <br>

~~Description: Structure of MalC Reductase~~/~~Diels-Alderase from Malbranchea aurantiaca~~

</td></tr><tr id='method'><td class="sblockLbl"><b>[[Empirical_models|Method:]]</b></td><td class="sblockDat" id="methodDat">X-ray diffraction, [[Resolution|Resolution]] 1.6Å</td></tr>

[[Category: ~~Unreleased~~ Structures]]

<tr id='resources'><td class="sblockLbl"><b>Resources:</b></td><td class="sblockDat"><span class='plainlinks'>[https://proteopedia.org/fgij/fg.htm?mol=6nkh FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=6nkh OCA], [https://pdbe.org/6nkh PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=6nkh RCSB], [https://www.ebi.ac.uk/pdbsum/6nkh PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=6nkh ProSAT]</span></td></tr>

[[Category: ~~Newmister, S.A~~]]

</table>

[[Category: ~~Smith, J.L~~]]

== Function ==

[[Category: Sherman~~, D.H~~]]

[https://www.uniprot.org/uniprot/MALC_MALAU MALC_MALAU] Short-chain dehydrogenase/reductase; part of the gene cluster that mediates the biosynthesis of malbrancheamide, a dichlorinated fungal indole alkaloid that belongs to a family of natural products containing a characteristic bicyclo[2.2.2]diazaoctane core (PubMed:23213353, PubMed:28777910, PubMed:31548667). The first step of malbrancheamide biosynthesis involves coupling of L-proline and L-tryptophan by malG, a bimodular NRPS, to produce L-Pro-L-Trp aldehyde through reductive offloading (PubMed:23213353, PubMed:31548667). This compound undergoes spontaneous cyclization and dehydration to give a dienamine which is reverse prenylated at C-2 by malE (PubMed:31548667). The other prenyltransferase present in the cluster, malB, displays modest activity, suggesting that may be a redundant gene in the pathway (PubMed:31548667). Subsequently, a [4+2] Diels-Alder cyclo-addition catalyzed by the bifunctional enzyme malC forms the characteristic bicyclo[2.2.2]diazaoctane ring of premalbrancheamid (PubMed:31548667). The first reaction catalyzed is a NADPH-dependent reduction reaction in which the nicotinamide cofactor is a stoichiometric reagent (PubMed:31548667). Either NADH or NADPH is effective as a cofactor (PubMed:31548667). Finally, the flavin-dependent halogenase malA catalyzes the iterative dichlorination of the indole ring of premalbrancheamide to yield C-9 monochlorinated malbrancheamide B, C-8 monochlorinated isomalbrancheamide B, and dichlorinated malbrancheamide (PubMed:28777910, PubMed:31548667). MalA is also able to brominate premalbrancheamide at C-9 to yield malbrancheamide C, and, to a lesser extend, at C-8 to yield isomalbrancheamide C (PubMed:28777910). Finally, malA can brominate C-9 monochlorinated malbrancheamide B at C-8 to yield malbrancheamide D, or C-8 monochlorinated isomalbrancheamide B at C-9 to produce isomalbrancheamide D (PubMed:28777910).<ref>PMID:23213353</ref> <ref>PMID:28777910</ref> <ref>PMID:31548667</ref>

[[Category: ~~Dan, Q~~]]

== References ==

__TOC__

</StructureSection>

[[Category: Large Structures]]

[[Category: Malbranchea aurantiaca]]

[[Category: Dan Q]]

[[Category: Newmister SA]]

[[Category: Sherman DH]]

[[Category: Smith JL]]

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@@ Line 1: / Line 1: @@
-'''Unreleased structure'''
-The entry 6nkh is ON HOLD
+==Structure of MalC Reductase/Diels-Alderase from Malbranchea aurantiaca==
+<StructureSection load='6nkh' size='340' side='right'caption='[[6nkh]], [[Resolution|resolution]] 1.60&Aring;' scene=''>
-Authors: Dan, Q., Newmister, S.A., Smith, J.L., Sherman, D.H.
+== Structural highlights ==
+<table><tr><td colspan='2'>[[6nkh]] is a 4 chain structure with sequence from [https://en.wikipedia.org/wiki/Malbranchea_aurantiaca Malbranchea aurantiaca]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=6NKH OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=6NKH FirstGlance]. <br>
-Description: Structure of MalC Reductase/Diels-Alderase from Malbranchea aurantiaca
+</td></tr><tr id='method'><td class="sblockLbl"><b>[[Empirical_models|Method:]]</b></td><td class="sblockDat" id="methodDat">X-ray diffraction, [[Resolution|Resolution]] 1.6&#8491;</td></tr>
-[[Category: Unreleased Structures]]
+<tr id='resources'><td class="sblockLbl"><b>Resources:</b></td><td class="sblockDat"><span class='plainlinks'>[https://proteopedia.org/fgij/fg.htm?mol=6nkh FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=6nkh OCA], [https://pdbe.org/6nkh PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=6nkh RCSB], [https://www.ebi.ac.uk/pdbsum/6nkh PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=6nkh ProSAT]</span></td></tr>
-[[Category: Newmister, S.A]]
+</table>
-[[Category: Smith, J.L]]
+== Function ==
-[[Category: Sherman, D.H]]
+[https://www.uniprot.org/uniprot/MALC_MALAU MALC_MALAU] Short-chain dehydrogenase/reductase; part of the gene cluster that mediates the biosynthesis of malbrancheamide, a dichlorinated fungal indole alkaloid that belongs to a family of natural products containing a characteristic bicyclo[2.2.2]diazaoctane core (PubMed:23213353, PubMed:28777910, PubMed:31548667). The first step of malbrancheamide biosynthesis involves coupling of L-proline and L-tryptophan by malG, a bimodular NRPS, to produce L-Pro-L-Trp aldehyde through reductive offloading (PubMed:23213353, PubMed:31548667). This compound undergoes spontaneous cyclization and dehydration to give a dienamine which is reverse prenylated at C-2 by malE (PubMed:31548667). The other prenyltransferase present in the cluster, malB, displays modest activity, suggesting that may be a redundant gene in the pathway (PubMed:31548667). Subsequently, a [4+2] Diels-Alder cyclo-addition catalyzed by the bifunctional enzyme malC forms the characteristic bicyclo[2.2.2]diazaoctane ring of premalbrancheamid (PubMed:31548667). The first reaction catalyzed is a NADPH-dependent reduction reaction in which the nicotinamide cofactor is a stoichiometric reagent (PubMed:31548667). Either NADH or NADPH is effective as a cofactor (PubMed:31548667). Finally, the flavin-dependent halogenase malA catalyzes the iterative dichlorination of the indole ring of premalbrancheamide to yield C-9 monochlorinated malbrancheamide B, C-8 monochlorinated isomalbrancheamide B, and dichlorinated malbrancheamide (PubMed:28777910, PubMed:31548667). MalA is also able to brominate premalbrancheamide at C-9 to yield malbrancheamide C, and, to a lesser extend, at C-8 to yield isomalbrancheamide C (PubMed:28777910). Finally, malA can brominate C-9 monochlorinated malbrancheamide B at C-8 to yield malbrancheamide D, or C-8 monochlorinated isomalbrancheamide B at C-9 to produce isomalbrancheamide D (PubMed:28777910).<ref>PMID:23213353</ref> <ref>PMID:28777910</ref> <ref>PMID:31548667</ref>
-[[Category: Dan, Q]]
+== References ==
+<references/>
+__TOC__
+</StructureSection>
+[[Category: Large Structures]]
+[[Category: Malbranchea aurantiaca]]
+[[Category: Dan Q]]
+[[Category: Newmister SA]]
+[[Category: Sherman DH]]
+[[Category: Smith JL]]