3wc6: Difference between revisions
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==Carboxypeptidase B in complex with 2nd zinc== | ==Carboxypeptidase B in complex with 2nd zinc== | ||
<StructureSection load='3wc6' size='340' side='right'caption='[[3wc6]]' scene=''> | <StructureSection load='3wc6' size='340' side='right'caption='[[3wc6]], [[Resolution|resolution]] 1.65Å' 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=3WC6 OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=3WC6 FirstGlance]. <br> | <table><tr><td colspan='2'>[[3wc6]] is a 1 chain structure with sequence from [https://en.wikipedia.org/wiki/Sus_scrofa Sus scrofa]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=3WC6 OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=3WC6 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=3wc6 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=3wc6 OCA], [https://pdbe.org/3wc6 PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=3wc6 RCSB], [https://www.ebi.ac.uk/pdbsum/3wc6 PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=3wc6 ProSAT]</span></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]] 1.65Å</td></tr> | ||
<tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=ACT:ACETATE+ION'>ACT</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=3wc6 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=3wc6 OCA], [https://pdbe.org/3wc6 PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=3wc6 RCSB], [https://www.ebi.ac.uk/pdbsum/3wc6 PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=3wc6 ProSAT]</span></td></tr> | |||
</table> | </table> | ||
== Function == | |||
[https://www.uniprot.org/uniprot/CBPB1_PIG CBPB1_PIG] | |||
<div style="background-color:#fffaf0;"> | |||
== Publication Abstract from PubMed == | |||
Activated thrombin-activatable fibrinolysis inhibitor (TAFIa) is a zinc-containing carboxypeptidase and significantly inhibits fibrinolysis. TAFIa inhibitors are thus expected to act as profibrinolytic agents. We recently reported the design and synthesis of selenium-containing inhibitors of TAFIa and their inhibitory activity. Here we report the crystal structures of potent selenium-, sulfur-, and phosphinic acid-containing inhibitors bound to porcine pancreatic carboxypeptidase B (ppCPB). ppCPB is a TAFIa homologue and is surrogate TAFIa for crystallographic analysis. Crystal structures of ppCPB complexed with selenium compound 1a, its sulfur analogue 2, and phosphinic acid derivative EF6265 were determined at 1.70, 2.15, and 1.90 A resolution, respectively. Each inhibitor binds to the active site of ppCPB in a similar manner to that observed for previously reported inhibitors. Thus, in complexes, selenium, sulfur, and phosphinic acid oxygen coordinate to zinc in ppCPB. This is the first observation and report of selenium coordinating to zinc in CPB. | |||
Structural Basis for Inhibition of Carboxypeptidase B by Selenium-Containing Inhibitor: Selenium Coordinates to Zinc in Enzyme.,Yoshimoto N, Itoh T, Inaba Y, Ishii H, Yamamoto K J Med Chem. 2013 Sep 24. PMID:24010887<ref>PMID:24010887</ref> | |||
From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br> | |||
</div> | |||
<div class="pdbe-citations 3wc6" style="background-color:#fffaf0;"></div> | |||
==See Also== | ==See Also== | ||
*[[Carboxypeptidase|Carboxypeptidase]] | *[[Carboxypeptidase|Carboxypeptidase]] | ||
*[[Carboxypeptidase 3D structures|Carboxypeptidase 3D structures]] | *[[Carboxypeptidase 3D structures|Carboxypeptidase 3D structures]] | ||
== References == | |||
<references/> | |||
__TOC__ | __TOC__ | ||
</StructureSection> | </StructureSection> | ||
[[Category: Large Structures]] | [[Category: Large Structures]] | ||
[[Category: Sus scrofa]] | |||
[[Category: Inaba Y]] | [[Category: Inaba Y]] | ||
[[Category: Itoh T]] | [[Category: Itoh T]] | ||
[[Category: Yamamoto K]] | [[Category: Yamamoto K]] | ||
[[Category: Yoshimoto N]] | [[Category: Yoshimoto N]] | ||
Latest revision as of 16:03, 8 November 2023
Carboxypeptidase B in complex with 2nd zincCarboxypeptidase B in complex with 2nd zinc
Structural highlights
FunctionPublication Abstract from PubMedActivated thrombin-activatable fibrinolysis inhibitor (TAFIa) is a zinc-containing carboxypeptidase and significantly inhibits fibrinolysis. TAFIa inhibitors are thus expected to act as profibrinolytic agents. We recently reported the design and synthesis of selenium-containing inhibitors of TAFIa and their inhibitory activity. Here we report the crystal structures of potent selenium-, sulfur-, and phosphinic acid-containing inhibitors bound to porcine pancreatic carboxypeptidase B (ppCPB). ppCPB is a TAFIa homologue and is surrogate TAFIa for crystallographic analysis. Crystal structures of ppCPB complexed with selenium compound 1a, its sulfur analogue 2, and phosphinic acid derivative EF6265 were determined at 1.70, 2.15, and 1.90 A resolution, respectively. Each inhibitor binds to the active site of ppCPB in a similar manner to that observed for previously reported inhibitors. Thus, in complexes, selenium, sulfur, and phosphinic acid oxygen coordinate to zinc in ppCPB. This is the first observation and report of selenium coordinating to zinc in CPB. Structural Basis for Inhibition of Carboxypeptidase B by Selenium-Containing Inhibitor: Selenium Coordinates to Zinc in Enzyme.,Yoshimoto N, Itoh T, Inaba Y, Ishii H, Yamamoto K J Med Chem. 2013 Sep 24. PMID:24010887[1] From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine. See AlsoReferences
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