6cgp: Difference between revisions

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<StructureSection load='6cgp' size='340' side='right'caption='[[6cgp]], [[Resolution|resolution]] 2.50&Aring;' scene=''>
<StructureSection load='6cgp' size='340' side='right'caption='[[6cgp]], [[Resolution|resolution]] 2.50&Aring;' scene=''>
== Structural highlights ==
== Structural highlights ==
<table><tr><td colspan='2'>[[6cgp]] is a 1 chain structure with sequence from [http://en.wikipedia.org/wiki/Brachidanio_rerio Brachidanio rerio]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=6CGP OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=6CGP FirstGlance]. <br>
<table><tr><td colspan='2'>[[6cgp]] is a 1 chain structure with sequence from [https://en.wikipedia.org/wiki/Danio_rerio Danio rerio]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=6CGP OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=6CGP FirstGlance]. <br>
</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=EDO:1,2-ETHANEDIOL'>EDO</scene>, <scene name='pdbligand=F1Y:N-hydroxy-4-[(2-propylimidazo[1,2-a]pyridin-3-yl)amino]benzamide'>F1Y</scene>, <scene name='pdbligand=K:POTASSIUM+ION'>K</scene>, <scene name='pdbligand=ZN:ZINC+ION'>ZN</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]] 2.5&#8491;</td></tr>
<tr id='gene'><td class="sblockLbl"><b>[[Gene|Gene:]]</b></td><td class="sblockDat">hdac6 ([http://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=7955 Brachidanio rerio])</td></tr>
<tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=EDO:1,2-ETHANEDIOL'>EDO</scene>, <scene name='pdbligand=F1Y:N-hydroxy-4-[(2-propylimidazo[1,2-a]pyridin-3-yl)amino]benzamide'>F1Y</scene>, <scene name='pdbligand=K:POTASSIUM+ION'>K</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'>[http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=6cgp FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=6cgp OCA], [http://pdbe.org/6cgp PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=6cgp RCSB], [http://www.ebi.ac.uk/pdbsum/6cgp PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=6cgp 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=6cgp FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=6cgp OCA], [https://pdbe.org/6cgp PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=6cgp RCSB], [https://www.ebi.ac.uk/pdbsum/6cgp PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=6cgp ProSAT]</span></td></tr>
</table>
</table>
== Function ==
[https://www.uniprot.org/uniprot/A7YT55_DANRE A7YT55_DANRE]
<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: Brachidanio rerio]]
[[Category: Danio rerio]]
[[Category: Large Structures]]
[[Category: Large Structures]]
[[Category: Christianson, D W]]
[[Category: Christianson DW]]
[[Category: Osko, J D]]
[[Category: Osko JD]]
[[Category: Histone deacetylase]]
[[Category: Hydrolase-hydrolase inhibitor complex]]
[[Category: Metallohydrolase]]

Latest revision as of 18:04, 4 October 2023

Crystal structure of Danio rerio histone deacetylase 6 catalytic domain 2 complexed with MAIP-032Crystal structure of Danio rerio histone deacetylase 6 catalytic domain 2 complexed with MAIP-032

Structural highlights

6cgp is a 1 chain structure with sequence from Danio rerio. Full crystallographic information is available from OCA. For a guided tour on the structure components use FirstGlance.
Method:X-ray diffraction, Resolution 2.5Å
Ligands:, , ,
Resources:FirstGlance, OCA, PDBe, RCSB, PDBsum, ProSAT

Function

A7YT55_DANRE

Publication Abstract from PubMed

The multicomponent synthesis of a mini-library of histone deacetylase inhibitors with imidazo[1,2- a]pyridine-based cap groups is presented. The biological evaluation led to the discovery of the hit compound MAIP-032 as a selective HDAC6 inhibitor with promising anticancer activity. The X-ray structure of catalytic domain 2 from Danio rerio HDAC6 complexed with MAIP-032 revealed a monodentate zinc-binding mode.

Multicomponent Synthesis and Binding Mode of Imidazo[1,2- a]pyridine-Capped Selective HDAC6 Inhibitors.,Mackwitz MKW, Hamacher A, Osko JD, Held J, Scholer A, Christianson DW, Kassack MU, Hansen FK Org Lett. 2018 Jun 1;20(11):3255-3258. doi: 10.1021/acs.orglett.8b01118. Epub, 2018 May 23. PMID:29790770[1]

From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.

See Also

References

  1. ↑ Mackwitz MKW, Hamacher A, Osko JD, Held J, Scholer A, Christianson DW, Kassack MU, Hansen FK. Multicomponent Synthesis and Binding Mode of Imidazo[1,2- a]pyridine-Capped Selective HDAC6 Inhibitors. Org Lett. 2018 Jun 1;20(11):3255-3258. doi: 10.1021/acs.orglett.8b01118. Epub, 2018 May 23. PMID:29790770 doi:http://dx.doi.org/10.1021/acs.orglett.8b01118

6cgp, resolution 2.50Å

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