This old version of Proteopedia is provided for student assignments while the new version is undergoing repairs. Content and edits done in this old version of Proteopedia after March 1, 2026 will eventually be lost when it is retired in about June of 2026.

Apply for new accounts at the new Proteopedia. Your logins will work in both the old and new versions.


4uib

From Proteopedia

(Difference between revisions)
Jump to: navigation, search
Current revision (07:19, 1 May 2024) (edit) (undo)
 
(3 intermediate revisions not shown.)
Line 1: Line 1:
 +
==Crystal structure of 3p in complex with tafCPB==
==Crystal structure of 3p in complex with tafCPB==
-
<StructureSection load='4uib' size='340' side='right' caption='[[4uib]], [[Resolution|resolution]] 1.94&Aring;' scene=''>
+
<StructureSection load='4uib' size='340' side='right'caption='[[4uib]], [[Resolution|resolution]] 1.94&Aring;' scene=''>
== Structural highlights ==
== Structural highlights ==
-
<table><tr><td colspan='2'>[[4uib]] is a 1 chain structure. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=4UIB OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=4UIB FirstGlance]. <br>
+
<table><tr><td colspan='2'>[[4uib]] 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=4UIB OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=4UIB FirstGlance]. <br>
-
</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=ACT:ACETATE+ION'>ACT</scene>, <scene name='pdbligand=GOL:GLYCEROL'>GOL</scene>, <scene name='pdbligand=GWX:(2S)-6-AMINO-2-[[(1R)-1-(CYCLOHEXYLMETHYL)-2-OXO-2-[[(2S)-1,7,7-TRIMETHYLNORBORNAN-2-YL]AMINO]ETHYL]ARBAMOYLAMINO]HEXANOIC+ACID'>GWX</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]] 1.94&#8491;</td></tr>
-
<tr id='related'><td class="sblockLbl"><b>[[Related_structure|Related:]]</b></td><td class="sblockDat">[[4uia|4uia]]</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=GOL:GLYCEROL'>GOL</scene>, <scene name='pdbligand=GWX:(2S)-6-AMINO-2-[[(1R)-1-(CYCLOHEXYLMETHYL)-2-OXO-2-[[(2S)-1,7,7-TRIMETHYLNORBORNAN-2-YL]AMINO]ETHYL]ARBAMOYLAMINO]HEXANOIC+ACID'>GWX</scene>, <scene name='pdbligand=ZN:ZINC+ION'>ZN</scene></td></tr>
-
<tr id='activity'><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[http://en.wikipedia.org/wiki/Carboxypeptidase_B Carboxypeptidase B], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=3.4.17.2 3.4.17.2] </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=4uib FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4uib OCA], [https://pdbe.org/4uib PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=4uib RCSB], [https://www.ebi.ac.uk/pdbsum/4uib PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=4uib ProSAT]</span></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=4uib FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4uib OCA], [http://www.rcsb.org/pdb/explore.do?structureId=4uib RCSB], [http://www.ebi.ac.uk/pdbsum/4uib PDBsum]</span></td></tr>
+
</table>
</table>
-
<div style="background-color:#fffaf0;">
+
== Function ==
-
== Publication Abstract from PubMed ==
+
[https://www.uniprot.org/uniprot/CBPB1_PIG CBPB1_PIG]
-
Anabaenopeptins isolated from cyanobacteria were identified as inhibitors of carboxypeptidase TAFIa. Cocrystal structures of these macrocyclic natural product inhibitors in a modified porcine carboxypeptidase B revealed their binding mode and provided the basis for the rational design of small molecule inhibitors with a previously unknown central urea motif. Optimization based on these design concepts allowed for a rapid evaluation of the SAR and delivered potent small molecule inhibitors of TAFIa with a promising overall profile.
+
-
 
+
-
Novel Small Molecule Inhibitors of Activated Thrombin Activatable Fibrinolysis Inhibitor (TAFIa) from Natural Product Anabaenopeptin.,Halland N, Bronstrup M, Czech J, Czechtizky W, Evers A, Follmann M, Kohlmann M, Schiell M, Kurz M, Schreuder HA, Kallus C J Med Chem. 2015 May 20. PMID:25990761<ref>PMID:25990761</ref>
+
-
From MEDLINE&reg;/PubMed&reg;, a database of the U.S. National Library of Medicine.<br>
+
==See Also==
-
</div>
+
*[[Carboxypeptidase 3D structures|Carboxypeptidase 3D structures]]
-
== References ==
+
-
<references/>
+
__TOC__
__TOC__
</StructureSection>
</StructureSection>
-
[[Category: Carboxypeptidase B]]
+
[[Category: Large Structures]]
-
[[Category: Broenstrup, M]]
+
[[Category: Sus scrofa]]
-
[[Category: Czech, J]]
+
[[Category: Broenstrup M]]
-
[[Category: Czechtizky, W]]
+
[[Category: Czech J]]
-
[[Category: Evers, A]]
+
[[Category: Czechtizky W]]
-
[[Category: Follmann, M]]
+
[[Category: Evers A]]
-
[[Category: Halland, N]]
+
[[Category: Follmann M]]
-
[[Category: Kallus, C]]
+
[[Category: Halland N]]
-
[[Category: Kohlmann, M]]
+
[[Category: Kallus C]]
-
[[Category: Kurz, M]]
+
[[Category: Kohlmann M]]
-
[[Category: Schiell, M]]
+
[[Category: Kurz M]]
-
[[Category: Schreuder, H A]]
+
[[Category: Schiell M]]
-
[[Category: Drug discovery]]
+
[[Category: Schreuder HA]]
-
[[Category: Fibrinolysis]]
+
-
[[Category: Hydrolase]]
+
-
[[Category: Tafi]]
+
-
[[Category: Thrombosis]]
+

Current revision

Crystal structure of 3p in complex with tafCPB

PDB ID 4uib

Drag the structure with the mouse to rotate

Proteopedia Page Contributors and Editors (what is this?)

OCA

Retrieved from "http://52.214.119.220/wiki/index.php/4uib"
Personal tools