5g1c: Difference between revisions
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<StructureSection load='5g1c' size='340' side='right'caption='[[5g1c]], [[Resolution|resolution]] 1.81Å' scene=''> | <StructureSection load='5g1c' size='340' side='right'caption='[[5g1c]], [[Resolution|resolution]] 1.81Å' scene=''> | ||
== Structural highlights == | == Structural highlights == | ||
<table><tr><td colspan='2'>[[5g1c]] is a 2 chain structure with sequence from [ | <table><tr><td colspan='2'>[[5g1c]] is a 2 chain structure with sequence from [https://en.wikipedia.org/wiki/Alcaligenes Alcaligenes]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=5G1C OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=5G1C FirstGlance]. <br> | ||
</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=1PE:PENTAETHYLENE+GLYCOL'>1PE</scene>, <scene name='pdbligand=9RB:(2E)-N-HYDROXY-3-{4-[(E)-(1,3,5-TRIMETHYL-1H-PYRAZOL-4-YL)DIAZENYL]PHENYL}PROP-2-ENAMIDE'>9RB</scene>, <scene name='pdbligand=K:POTASSIUM+ION'>K</scene>, <scene name='pdbligand=PEG:DI(HYDROXYETHYL)ETHER'>PEG</scene>, <scene name='pdbligand=ZN:ZINC+ION'>ZN</scene | </td></tr><tr id='method'><td class="sblockLbl"><b>[[Empirical_models|Method:]]</b></td><td class="sblockDat" id="methodDat">X-ray diffraction, [[Resolution|Resolution]] 1.81Å</td></tr> | ||
<tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=1PE:PENTAETHYLENE+GLYCOL'>1PE</scene>, <scene name='pdbligand=9RB:(2E)-N-HYDROXY-3-{4-[(E)-(1,3,5-TRIMETHYL-1H-PYRAZOL-4-YL)DIAZENYL]PHENYL}PROP-2-ENAMIDE'>9RB</scene>, <scene name='pdbligand=K:POTASSIUM+ION'>K</scene>, <scene name='pdbligand=PEG:DI(HYDROXYETHYL)ETHER'>PEG</scene>, <scene name='pdbligand=ZN:ZINC+ION'>ZN</scene></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=5g1c FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=5g1c OCA], [https://pdbe.org/5g1c PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=5g1c RCSB], [https://www.ebi.ac.uk/pdbsum/5g1c PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=5g1c ProSAT]</span></td></tr> | |||
<tr id='resources'><td class="sblockLbl"><b>Resources:</b></td><td class="sblockDat"><span class='plainlinks'>[ | |||
</table> | </table> | ||
== Function == | |||
[https://www.uniprot.org/uniprot/HDAH_ALCSD HDAH_ALCSD] | |||
<div style="background-color:#fffaf0;"> | <div style="background-color:#fffaf0;"> | ||
== Publication Abstract from PubMed == | == Publication Abstract from PubMed == | ||
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</div> | </div> | ||
<div class="pdbe-citations 5g1c" style="background-color:#fffaf0;"></div> | <div class="pdbe-citations 5g1c" style="background-color:#fffaf0;"></div> | ||
==See Also== | |||
*[[Histone deacetylase 3D structures|Histone deacetylase 3D structures]] | |||
== References == | == References == | ||
<references/> | <references/> | ||
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</StructureSection> | </StructureSection> | ||
[[Category: Alcaligenes]] | [[Category: Alcaligenes]] | ||
[[Category: Large Structures]] | [[Category: Large Structures]] | ||
[[Category: Kraemer | [[Category: Kraemer A]] | ||
[[Category: Meyer-Almes | [[Category: Meyer-Almes FJ]] | ||
[[Category: Yildiz | [[Category: Yildiz O]] | ||
Latest revision as of 16:35, 26 July 2023
Structure of HDAC like protein from Bordetella Alcaligenes bound the photoswitchable pyrazole Inhibitor CEW395Structure of HDAC like protein from Bordetella Alcaligenes bound the photoswitchable pyrazole Inhibitor CEW395
Structural highlights
FunctionPublication Abstract from PubMedPhotopharmacological agents exhibit light-dependent biological activity and may have potential in the development of new antimicrobial agents/modalities. Amidohydrolase enzymes homologous to the well-known human histone deacetylases (HDACs) are present in bacteria, including resistant organisms responsible for a significant number of hospital-acquired infections and deaths. We report photopharmacological inhibitors of these enzymes, using two classes of photoswitches embedded in the inhibitor pharmacophore: azobenzenes and arylazopyrazoles. Although both classes of inhibitor show excellent inhibitory activity (nM IC50 values) of the target enzymes and promising differential activity of the switchable E- and Z-isomeric forms, the arylazopyrazoles exhibit better intrinsic photoswitch performance (more complete switching, longer thermal lifetime of the Z-isomer). We also report protein-ligand crystal structures of the E-isomers of both an azobenzene and an arylazopyrazole inhibitor, bound to bacterial histone deacetylase-like amidohydrolases (HDAHs). These structures not only uncover interactions important for inhibitor binding but also reveal conformational differences between the two photoswitch inhibitor classes. As such, our data may pave the way for the design of improved photopharmacological agents targeting the HDAC superfamily. Toward Photopharmacological Antimicrobial Chemotherapy Using Photoswitchable Amidohydrolase Inhibitors.,Weston CE, Kramer A, Colin F, Yildiz O, Baud MG, Meyer-Almes FJ, Fuchter MJ ACS Infect Dis. 2016 Oct 31. PMID:27756124[1] From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine. See AlsoReferences
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