6sac
From Proteopedia
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| - | '''Unreleased structure''' | ||
| - | + | ==N-terminal expression tag remainder of human Carbonic Anhydrase II covalently modified by fragment== | |
| + | <StructureSection load='6sac' size='340' side='right'caption='[[6sac]], [[Resolution|resolution]] 1.02Å' scene=''> | ||
| + | == Structural highlights == | ||
| + | <table><tr><td colspan='2'>Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=6SAC OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=6SAC FirstGlance]. <br> | ||
| + | </td></tr><tr id='method'><td class="sblockLbl"><b>[[Empirical_models|Method:]]</b></td><td class="sblockDat" id="methodDat">X-ray diffraction, [[Resolution|Resolution]] 1.02Å</td></tr> | ||
| + | <tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=47J:1-(1,3-DIMETHYL-1H-PYRAZOL-5-YL)METHANAMINE'>47J</scene>, <scene name='pdbligand=BE7:(4-CARBOXYPHENYL)(CHLORO)MERCURY'>BE7</scene>, <scene name='pdbligand=DMS:DIMETHYL+SULFOXIDE'>DMS</scene>, <scene name='pdbligand=HG:MERCURY+(II)+ION'>HG</scene>, <scene name='pdbligand=NA:SODIUM+ION'>NA</scene>, <scene name='pdbligand=PG4:TETRAETHYLENE+GLYCOL'>PG4</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=6sac FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=6sac OCA], [https://pdbe.org/6sac PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=6sac RCSB], [https://www.ebi.ac.uk/pdbsum/6sac PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=6sac ProSAT]</span></td></tr> | ||
| + | </table> | ||
| + | <div style="background-color:#fffaf0;"> | ||
| + | == Publication Abstract from PubMed == | ||
| + | Fragment screening is a powerful tool to identify and characterize binding pockets in proteins. We herein present the results of a proof-of-concept screening campaign of a versatile 96-entry fragment library from our laboratory against the drug target and model protein human carbonic anhydrase II. The screening revealed a novel chemotype for carbonic anhydrase inhibition, as well as less common non-covalent interaction types and unexpected covalent linkages. Lastly, different runs of the PanDDA tool reveal a practical hint for its application. | ||
| - | + | A Proof-of-Concept Fragment Screening of a Hit-Validated 96-Compounds Library against Human Carbonic Anhydrase II.,Glockner S, Heine A, Klebe G Biomolecules. 2020 Mar 29;10(4). pii: biom10040518. doi: 10.3390/biom10040518. PMID:32235320<ref>PMID:32235320</ref> | |
| - | + | From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br> | |
| - | [[Category: | + | </div> |
| - | [[Category: | + | <div class="pdbe-citations 6sac" style="background-color:#fffaf0;"></div> |
| - | [[Category: | + | |
| - | [[Category: Klebe | + | ==See Also== |
| + | *[[Carbonic anhydrase 3D structures|Carbonic anhydrase 3D structures]] | ||
| + | == References == | ||
| + | <references/> | ||
| + | __TOC__ | ||
| + | </StructureSection> | ||
| + | [[Category: Large Structures]] | ||
| + | [[Category: Gloeckner S]] | ||
| + | [[Category: Heine A]] | ||
| + | [[Category: Klebe G]] | ||
Current revision
N-terminal expression tag remainder of human Carbonic Anhydrase II covalently modified by fragment
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