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| | <StructureSection load='5bsu' size='340' side='right'caption='[[5bsu]], [[Resolution|resolution]] 1.75Å' scene=''> | | <StructureSection load='5bsu' size='340' side='right'caption='[[5bsu]], [[Resolution|resolution]] 1.75Å' scene=''> |
| | == Structural highlights == | | == Structural highlights == |
| - | <table><tr><td colspan='2'>[[5bsu]] is a 1 chain structure with sequence from [http://en.wikipedia.org/wiki/American_tobacco American tobacco]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=5BSU OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=5BSU FirstGlance]. <br> | + | <table><tr><td colspan='2'>[[5bsu]] is a 1 chain structure with sequence from [https://en.wikipedia.org/wiki/Nicotiana_tabacum Nicotiana tabacum]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=5BSU OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=5BSU FirstGlance]. <br> |
| - | </td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=4UV:5-O-[(R)-{[(2E)-3-(3,4-DIOXOCYCLOHEXA-1,5-DIEN-1-YL)PROP-2-ENOYL]OXY}(HYDROXY)PHOSPHORYL]ADENOSINE'>4UV</scene>, <scene name='pdbligand=GOL:GLYCEROL'>GOL</scene>, <scene name='pdbligand=MG:MAGNESIUM+ION'>MG</scene></td></tr> | + | </td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=4UV:5-O-[(R)-{[(2E)-3-(3,4-DIOXOCYCLOHEXA-1,5-DIEN-1-YL)PROP-2-ENOYL]OXY}(HYDROXY)PHOSPHORYL]ADENOSINE'>4UV</scene>, <scene name='pdbligand=GOL:GLYCEROL'>GOL</scene>, <scene name='pdbligand=MG:MAGNESIUM+ION'>MG</scene></td></tr> |
| - | <tr id='related'><td class="sblockLbl"><b>[[Related_structure|Related:]]</b></td><td class="sblockDat">[[5bsm|5bsm]], [[5bsr|5bsr]], [[5bst|5bst]], [[5bsv|5bsv]], [[5bsw|5bsw]]</td></tr>
| + | <tr id='resources'><td class="sblockLbl"><b>Resources:</b></td><td class="sblockDat"><span class='plainlinks'>[https://proteopedia.org/fgij/fg.htm?mol=5bsu FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=5bsu OCA], [https://pdbe.org/5bsu PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=5bsu RCSB], [https://www.ebi.ac.uk/pdbsum/5bsu PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=5bsu ProSAT]</span></td></tr> |
| - | <tr id='gene'><td class="sblockLbl"><b>[[Gene|Gene:]]</b></td><td class="sblockDat">4CL2 ([http://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=4097 American tobacco])</td></tr>
| + | |
| - | <tr id='activity'><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[http://en.wikipedia.org/wiki/4-coumarate--CoA_ligase 4-coumarate--CoA ligase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=6.2.1.12 6.2.1.12] </span></td></tr>
| + | |
| - | <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=5bsu FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=5bsu OCA], [http://pdbe.org/5bsu PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=5bsu RCSB], [http://www.ebi.ac.uk/pdbsum/5bsu PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=5bsu ProSAT]</span></td></tr> | + | |
| | </table> | | </table> |
| | + | == Function == |
| | + | [https://www.uniprot.org/uniprot/4CL2_TOBAC 4CL2_TOBAC] |
| | <div style="background-color:#fffaf0;"> | | <div style="background-color:#fffaf0;"> |
| | == Publication Abstract from PubMed == | | == Publication Abstract from PubMed == |
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| | __TOC__ | | __TOC__ |
| | </StructureSection> | | </StructureSection> |
| - | [[Category: 4-coumarate--CoA ligase]] | |
| - | [[Category: American tobacco]] | |
| | [[Category: Large Structures]] | | [[Category: Large Structures]] |
| - | [[Category: Li, Z]] | + | [[Category: Nicotiana tabacum]] |
| - | [[Category: Nair, S K]] | + | [[Category: Li Z]] |
| - | [[Category: 4-coumarate:coa ligase]] | + | [[Category: Nair SK]] |
| - | [[Category: Ligase]]
| + | |
| Structural highlights
Function
4CL2_TOBAC
Publication Abstract from PubMed
Plant 4-coumarate:CoA ligase (4CL) serves as a central catalyst in the phenylpropanoid pathway that provides precursors for numerous metabolites and regulates carbon flow. Here, we present several high-resolution crystal structures of Nicotiana tabacum 4CL isoform 2 (Nt4CL2) in complex with Mg(2+) and ATP, with AMP and coenzyme A (CoA), and with three different hydroxycinnamate-AMP intermediates: 4-coumaroyl-AMP, caffeoyl-AMP, and feruloyl-AMP. The Nt4CL2-Mg(2+)-ATP structure is captured in the adenylate-forming conformation, whereas the other structures are in the thioester-forming conformation. These structures represent a rare example of an ANL enzyme visualized in both conformations, and also reveal the binding determinants for both CoA and the hydroxycinnamate substrate. Kinetic studies of structure-based variants were used to identify residues crucial to catalysis, ATP binding, and hydroxycinnamate specificity. Lastly, we characterize a deletion mutant of Nt4CL2 that possesses the unusual sinapinate-utilizing activity. These studies establish a molecular framework for the engineering of this versatile biocatalyst.
Structural Basis for Specificity and Flexibility in a Plant 4-Coumarate:CoA Ligase.,Li Z, Nair SK Structure. 2015 Nov 3;23(11):2032-42. doi: 10.1016/j.str.2015.08.012. Epub 2015, Sep 24. PMID:26412334[1]
From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.
References
- ↑ Li Z, Nair SK. Structural Basis for Specificity and Flexibility in a Plant 4-Coumarate:CoA Ligase. Structure. 2015 Nov 3;23(11):2032-42. doi: 10.1016/j.str.2015.08.012. Epub 2015, Sep 24. PMID:26412334 doi:http://dx.doi.org/10.1016/j.str.2015.08.012
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