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| <StructureSection load='4e5d' size='340' side='right'caption='[[4e5d]], [[Resolution|resolution]] 2.20Å' scene=''> | | <StructureSection load='4e5d' size='340' side='right'caption='[[4e5d]], [[Resolution|resolution]] 2.20Å' scene=''> |
| == Structural highlights == | | == Structural highlights == |
| <table><tr><td colspan='2'>[[4e5d]] is a 1 chain structure with sequence from [http://en.wikipedia.org/wiki/Photinus_pyralis Photinus pyralis]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=4E5D OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=4E5D FirstGlance]. <br> | | <table><tr><td colspan='2'>[[4e5d]] is a 1 chain structure with sequence from [https://en.wikipedia.org/wiki/Photinus_pyralis Photinus pyralis]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=4E5D OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=4E5D FirstGlance]. <br> |
| </td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=0NJ:2-(2-FLUOROPHENYL)-6-METHOXY-1,3-BENZOTHIAZOLE'>0NJ</scene></td></tr> | | </td></tr><tr id='method'><td class="sblockLbl"><b>[[Empirical_models|Method:]]</b></td><td class="sblockDat" id="methodDat">X-ray diffraction, [[Resolution|Resolution]] 2.201Å</td></tr> |
| <tr id='activity'><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[http://en.wikipedia.org/wiki/Photinus-luciferin_4-monooxygenase_(ATP-hydrolyzing) Photinus-luciferin 4-monooxygenase (ATP-hydrolyzing)], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=1.13.12.7 1.13.12.7] </span></td></tr> | | <tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=0NJ:2-(2-FLUOROPHENYL)-6-METHOXY-1,3-BENZOTHIAZOLE'>0NJ</scene></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=4e5d FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4e5d OCA], [http://pdbe.org/4e5d PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=4e5d RCSB], [http://www.ebi.ac.uk/pdbsum/4e5d PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=4e5d ProSAT]</span></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=4e5d FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4e5d OCA], [https://pdbe.org/4e5d PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=4e5d RCSB], [https://www.ebi.ac.uk/pdbsum/4e5d PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=4e5d ProSAT]</span></td></tr> |
| </table> | | </table> |
| == Function == | | == Function == |
| [[http://www.uniprot.org/uniprot/LUCI_PHOPY LUCI_PHOPY]] Produces green light with a wavelength of 562 nm. | | [https://www.uniprot.org/uniprot/LUCI_PHOPY LUCI_PHOPY] Produces green light with a wavelength of 562 nm. |
| <div style="background-color:#fffaf0;">
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| == Publication Abstract from PubMed ==
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| Firefly luciferase (FLuc) is frequently used as a reporter in high-throughput screening assays, owing to the exceptional sensitivity, dynamic range, and rapid measurement that bioluminescence affords. However, interaction of small molecules with FLuc has, to some extent, confounded its use in chemical biology and drug discovery. To identify and characterize chemotypes interacting with FLuc, we determined potency values for 360,864 compounds found in the NIH Molecular Libraries Small Molecule Repository, available in PubChem. FLuc inhibitory activity was observed for 12% of this library with discernible SAR. Characterization of 151 inhibitors demonstrated a variety of inhibition modes, including FLuc-catalyzed formation of multisubstrate adduct enzyme inhibitor complexes. As in some cell-based FLuc reporter assays, compounds acting as FLuc inhibitors yield paradoxical luminescence increases, thus data on compounds acquired from FLuc-dependent assays require careful analysis as described here.
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| Firefly luciferase in chemical biology: a compendium of inhibitors, mechanistic evaluation of chemotypes, and suggested use as a reporter.,Thorne N, Shen M, Lea WA, Simeonov A, Lovell S, Auld DS, Inglese J Chem Biol. 2012 Aug 24;19(8):1060-72. PMID:22921073<ref>PMID:22921073</ref>
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| From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br>
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| </div>
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| <div class="pdbe-citations 4e5d" style="background-color:#fffaf0;"></div>
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| ==See Also== | | ==See Also== |
| *[[Luciferase|Luciferase]] | | *[[Luciferase 3D structures|Luciferase 3D structures]] |
| == References ==
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| <references/>
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| __TOC__ | | __TOC__ |
| </StructureSection> | | </StructureSection> |
| [[Category: Large Structures]] | | [[Category: Large Structures]] |
| [[Category: Photinus pyralis]] | | [[Category: Photinus pyralis]] |
| [[Category: Auld, D S]] | | [[Category: Auld DS]] |
| [[Category: Battaile, K P]] | | [[Category: Battaile KP]] |
| [[Category: Inglese, J]] | | [[Category: Inglese J]] |
| [[Category: Lovell, S]] | | [[Category: Lovell S]] |
| [[Category: Shen, M]] | | [[Category: Shen M]] |
| [[Category: Throne, N]] | | [[Category: Throne N]] |
| [[Category: Adenylate forming enzyme]]
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| [[Category: Firefly luciferase]]
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| [[Category: Luciferase]]
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| [[Category: Luminescence]]
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| [[Category: Monooxygenase]]
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| [[Category: Oxidoreductase]]
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| [[Category: Oxidoreductase-oxidoreductase inhibitor complex]]
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| [[Category: Photoprotein]]
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| [[Category: Profiling]]
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| [[Category: Pubchem]]
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| [[Category: Qht]]
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| [[Category: Quantitative high-throughput screening]]
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| [[Category: Reporter-gene assay]]
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