7qhr
From Proteopedia
(Difference between revisions)
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==Unexpected imidazole coordination to dirhodium tetraacetate complex in a protein environment: insights from X-ray crystallography and quantum chemistry== | ==Unexpected imidazole coordination to dirhodium tetraacetate complex in a protein environment: insights from X-ray crystallography and quantum chemistry== | ||
| - | <StructureSection load='7qhr' size='340' side='right'caption='[[7qhr]]' scene=''> | + | <StructureSection load='7qhr' size='340' side='right'caption='[[7qhr]], [[Resolution|resolution]] 1.40Å' scene=''> |
== Structural highlights == | == Structural highlights == | ||
| - | <table><tr><td colspan='2'>Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=7QHR OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=7QHR FirstGlance]. <br> | + | <table><tr><td colspan='2'>[[7qhr]] is a 2 chain structure with sequence from [https://en.wikipedia.org/wiki/Bos_taurus Bos taurus]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=7QHR OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=7QHR FirstGlance]. <br> |
| - | </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=7qhr FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=7qhr OCA], [https://pdbe.org/7qhr PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=7qhr RCSB], [https://www.ebi.ac.uk/pdbsum/7qhr PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=7qhr ProSAT]</span></td></tr> | + | </td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=CJI:cis-mi2-acetato-(O,+O)-N-imidazyl-pentaaqua-dirhodium(II,+II)'>CJI</scene>, <scene name='pdbligand=D1O:tri-(mi2-acetato-(O,+O)-diaqua-dirhodium(II,+II)'>D1O</scene>, <scene name='pdbligand=D3I:octaaqua-dirhodium+(II,+II)+fragment'>D3I</scene>, <scene name='pdbligand=D5A:trans-mi2-acetato-(O,+O)-N-imidazyl-pentaaqua-dirhodium(II,+II)'>D5A</scene></td></tr> |
| + | <tr id='activity'><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[https://en.wikipedia.org/wiki/Pancreatic_ribonuclease Pancreatic ribonuclease], with EC number [https://www.brenda-enzymes.info/php/result_flat.php4?ecno=4.6.1.18 4.6.1.18] </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=7qhr FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=7qhr OCA], [https://pdbe.org/7qhr PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=7qhr RCSB], [https://www.ebi.ac.uk/pdbsum/7qhr PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=7qhr ProSAT]</span></td></tr> | ||
</table> | </table> | ||
| + | == Function == | ||
| + | [[https://www.uniprot.org/uniprot/RNAS1_BOVIN RNAS1_BOVIN]] Endonuclease that catalyzes the cleavage of RNA on the 3' side of pyrimidine nucleotides. Acts on single stranded and double stranded RNA.<ref>PMID:7479688</ref> | ||
| + | <div style="background-color:#fffaf0;"> | ||
| + | == Publication Abstract from PubMed == | ||
| + | X-ray diffraction data demonstrate that the adduct formed upon the reaction of dirhodium(II,II) tetraacetate with RNase A reacts with imidazole, leading to the formation of an unexpected product with the imidazole that binds the dirhodium center at an equatorial site rather than an axial site. The origin of this result has been dissected using quantum-chemical calculations. | ||
| + | |||
| + | Unexpected Imidazole Coordination to the Dirhodium Center in a Protein Environment: Insights from X-ray Crystallography and Quantum Chemistry.,Loreto D, Fasulo F, Munoz-Garcia AB, Pavone M, Merlino A Inorg Chem. 2022 Jun 6;61(22):8402-8405. doi: 10.1021/acs.inorgchem.2c01370. Epub, 2022 May 24. PMID:35609175<ref>PMID:35609175</ref> | ||
| + | |||
| + | From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br> | ||
| + | </div> | ||
| + | <div class="pdbe-citations 7qhr" style="background-color:#fffaf0;"></div> | ||
| + | == References == | ||
| + | <references/> | ||
__TOC__ | __TOC__ | ||
</StructureSection> | </StructureSection> | ||
| + | [[Category: Bos taurus]] | ||
[[Category: Large Structures]] | [[Category: Large Structures]] | ||
| - | [[Category: Loreto D]] | + | [[Category: Pancreatic ribonuclease]] |
| - | [[Category: Merlino A]] | + | [[Category: Loreto, D]] |
| + | [[Category: Merlino, A]] | ||
| + | [[Category: Dirhodium tetraacetate]] | ||
| + | [[Category: Hydrolase]] | ||
| + | [[Category: In-crystallo reactivity]] | ||
| + | [[Category: Protein metalation]] | ||
Revision as of 05:19, 15 June 2022
Unexpected imidazole coordination to dirhodium tetraacetate complex in a protein environment: insights from X-ray crystallography and quantum chemistry
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