7qi0: Difference between revisions

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-'''Unreleased structure'''
-The entry 7qi0 is ON HOLD
+==Crystal structure of KLK6 in complex with compound DKFZ918==
+<StructureSection load='7qi0' size='340' side='right'caption='[[7qi0]], [[Resolution|resolution]] 1.88&Aring;' scene=''>
+== Structural highlights ==
+<table><tr><td colspan='2'>[[7qi0]] is a 2 chain structure with sequence from [https://en.wikipedia.org/wiki/Homo_sapiens Homo sapiens]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=7QI0 OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=7QI0 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]] 1.88&#8491;</td></tr>
+<tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=C9I:(5~{R})-3-(6-carbamimidoylpyridin-3-yl)-~{N}-[(1~{S})-1-naphthalen-1-ylpropyl]-2-oxidanylidene-1,3-oxazolidine-5-carboxamide'>C9I</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=7qi0 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=7qi0 OCA], [https://pdbe.org/7qi0 PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=7qi0 RCSB], [https://www.ebi.ac.uk/pdbsum/7qi0 PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=7qi0 ProSAT]</span></td></tr>
+</table>
+== Function ==
+[https://www.uniprot.org/uniprot/KLK6_HUMAN KLK6_HUMAN] Serine protease which exhibits a preference for Arg over Lys in the substrate P1 position and for Ser or Pro in the P2 position. Shows activity against amyloid precursor protein, myelin basic protein, gelatin, casein and extracellular matrix proteins such as fibronectin, laminin, vitronectin and collagen. Degrades alpha-synuclein and prevents its polymerization, indicating that it may be involved in the pathogenesis of Parkinson disease and other synucleinopathies. May be involved in regulation of axon outgrowth following spinal cord injury. Tumor cells treated with a neutralizing KLK6 antibody migrate less than control cells, suggesting a role in invasion and metastasis.<ref>PMID:12878203</ref> <ref>PMID:12928483</ref> <ref>PMID:15557757</ref> <ref>PMID:16987227</ref> <ref>PMID:16321973</ref> <ref>PMID:11983703</ref>
+<div style="background-color:#fffaf0;">
+== Publication Abstract from PubMed ==
+Scalable asymmetric syntheses of two kallikrein-related protease 6 (KLK6) inhibitors are reported. The inhibitors are assembled by linking enantiomerically enriched fragments via amide bond formation, followed by conversion of a cyano group to an amidine. One fragment, an amine, was prepared using the Ellman auxiliary, and a lack of clarity in the literature regarding the stereochemical outcome of this reaction was solved via X-ray crystallographic analysis of two derivatives. Complexes of the inhibitors bound to human KLK6 were solved by X-ray crystallography, revealing the binding poses.
-Authors:
+Scalable synthesis and structural characterization of reversible KLK6 inhibitors.,Baumann A, Isak D, Lohbeck J, Jagtap PKA, Hennig J, Miller AK RSC Adv. 2022 Sep 21;12(41):26989-26993. doi: 10.1039/d2ra04670a. eCollection , 2022 Sep 16. PMID:36320846<ref>PMID:36320846</ref>
-Description:
+From MEDLINE&reg;/PubMed&reg;, a database of the U.S. National Library of Medicine.<br>
-[[Category: Unreleased Structures]]
+</div>
+<div class="pdbe-citations 7qi0" style="background-color:#fffaf0;"></div>
+==See Also==
+*[[Kallikrein 3D structures|Kallikrein 3D structures]]
+== References ==
+<references/>
+__TOC__
+</StructureSection>
+[[Category: Homo sapiens]]
+[[Category: Large Structures]]
+[[Category: Baumann A]]
+[[Category: Hennig J]]
+[[Category: Isak D]]
+[[Category: Jagtap PKA]]
+[[Category: Lohbeck J]]
+[[Category: Miller A]]