View source for 5lrj


==Crystal structure of the porcine carboxypeptidase B - Anabaenopeptin C complex==
<StructureSection load='5lrj' size='340' side='right'caption='[[5lrj]], [[Resolution|resolution]] 2.20&Aring;' scene=''>
== Structural highlights ==
<table><tr><td colspan='2'>[[5lrj]] is a 6 chain structure with sequence from [https://en.wikipedia.org/wiki/Planktothrix_rubescens Planktothrix rubescens] and [https://en.wikipedia.org/wiki/Sus_scrofa Sus scrofa]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=5LRJ OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=5LRJ 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]] 2.2&#8491;</td></tr>
<tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=73O:(2~{S})-2-AZANYL-4-(4-HYDROXYPHENYL)BUTANOIC+ACID'>73O</scene>, <scene name='pdbligand=73P:(2~{S})-6-AZANYL-2-(CARBOXYAMINO)HEXANOIC+ACID'>73P</scene>, <scene name='pdbligand=DLY:D-LYSINE'>DLY</scene>, <scene name='pdbligand=MAA:N-METHYL-L-ALANINE'>MAA</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=5lrj FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=5lrj OCA], [https://pdbe.org/5lrj PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=5lrj RCSB], [https://www.ebi.ac.uk/pdbsum/5lrj PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=5lrj ProSAT]</span></td></tr>
</table>
== Function ==
[https://www.uniprot.org/uniprot/CBPB1_PIG CBPB1_PIG] 
<div style="background-color:#fffaf0;">
== Publication Abstract from PubMed ==
Mature thrombin activatable fibrinolysis inhibitor (TAFIa) is a carboxypeptidase that stabilizes fibrin clots by removing C-terminal arginines and lysines from partially degraded fibrin. Inhibition of TAFIa stimulates the degradation of fibrin clots and may help to prevent thrombosis. Applying a lead finding approach based on literature-mining, we discovered that anabaenopeptins, cyclic peptides produced by cyanobacteria, were potent inhibitors of TAFIa with IC50 values as low as 1.5 nM. We describe the isolation and structure elucidation of 20 anabaenopeptins, including 13 novel congeners, as well as their pronounced structure-activity relationships (SAR) with respect to inhibition of TAFIa. Crystal structures of the anabaenopeptins B, C and F bound to the surrogate protease carboxypeptidase B revealed the binding modes of these large (~850 Da) compounds in detail and explained the observed SAR, i.e. the strong dependence of the potency on a basic (Arg, Lys) exocyclic residue that addressed the S1' binding pocket, and a broad tolerance towards substitutions in the pentacyclic ring that acted as a plug of the active site.

Isolation, Co-Crystallization and Structure-Based Characterization of Anabaenopeptins as Highly Potent Inhibitors of Activated Thrombin Activatable Fibrinolysis Inhibitor (TAFIa).,Schreuder H, Liesum A, Lonze P, Stump H, Hoffmann H, Schiell M, Kurz M, Toti L, Bauer A, Kallus C, Klemke-Jahn C, Czech J, Kramer D, Enke H, Niedermeyer TH, Morrison V, Kumar V, Bronstrup M Sci Rep. 2016 Sep 8;6:32958. doi: 10.1038/srep32958. PMID:27604544<ref>PMID:27604544</ref>

From MEDLINE&reg;/PubMed&reg;, a database of the U.S. National Library of Medicine.<br>
</div>
<div class="pdbe-citations 5lrj" style="background-color:#fffaf0;"></div>

==See Also==
*[[Carboxypeptidase 3D structures|Carboxypeptidase 3D structures]]
== References ==
<references/>
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</StructureSection>
[[Category: Large Structures]]
[[Category: Planktothrix rubescens]]
[[Category: Sus scrofa]]
[[Category: Liesum A]]
[[Category: Loenze P]]
[[Category: Schreuder H]]