4d8n

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[[Image:4d8n.jpg|left|200px]]
 
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==Human Kallikrein 6 Inhibitors with a para-Amidobenzylanmine P1 Group Carry a High Binding Efficiency==
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The line below this paragraph, containing "STRUCTURE_4d8n", creates the "Structure Box" on the page.
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<StructureSection load='4d8n' size='340' side='right'caption='[[4d8n]], [[Resolution|resolution]] 1.68&Aring;' scene=''>
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== Structural highlights ==
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or the SCENE parameter (which sets the initial scene displayed when the page is loaded),
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<table><tr><td colspan='2'>[[4d8n]] is a 1 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=4D8N OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=4D8N FirstGlance]. <br>
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</td></tr><tr id='method'><td class="sblockLbl"><b>[[Empirical_models|Method:]]</b></td><td class="sblockDat" id="methodDat">X-ray diffraction, [[Resolution|Resolution]] 1.68&#8491;</td></tr>
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<tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=0HM:2-{[4-(AMINOMETHYL)PHENYL]CARBAMOYL}-1-[(1-BENZYL-1H-IMIDAZOL-2-YL)METHYL]-3-HYDROXYPYRIDINIUM'>0HM</scene></td></tr>
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{{STRUCTURE_4d8n| PDB=4d8n | SCENE= }}
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<tr id='resources'><td class="sblockLbl"><b>Resources:</b></td><td class="sblockDat"><span class='plainlinks'>[https://proteopedia.org/fgij/fg.htm?mol=4d8n FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4d8n OCA], [https://pdbe.org/4d8n PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=4d8n RCSB], [https://www.ebi.ac.uk/pdbsum/4d8n PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=4d8n ProSAT]</span></td></tr>
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</table>
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== Function ==
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[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>
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<div style="background-color:#fffaf0;">
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== Publication Abstract from PubMed ==
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A series of hK6 inhibitors with a para-amidobenzylamine P1 group and a 2-hydroxybenzamide scaffold linker was discovered through virtual screening. The X-ray structure of hK6 complexed with compound 9b was determined to a resolution of 1.68A. The tertiary folding of the hK6 complexed with the inhibitor is conserved relative to the structure of the apo-protein, whereas the interaction between hK6 and the inhibitor is consistent with both the SAR and the in silico model used in the virtual screening.
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===Human Kallikrein 6 Inhibitors with a para-Amidobenzylanmine P1 Group Carry a High Binding Efficiency===
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Human kallikrein 6 inhibitors with a para-amidobenzylanmine P1 group identified through virtual screening.,Liang G, Chen X, Aldous S, Pu SF, Mehdi S, Powers E, Xia T, Wang R Bioorg Med Chem Lett. 2012 Apr 1;22(7):2450-5. Epub 2012 Feb 14. PMID:22386244<ref>PMID:22386244</ref>
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From MEDLINE&reg;/PubMed&reg;, a database of the U.S. National Library of Medicine.<br>
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</div>
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<div class="pdbe-citations 4d8n" style="background-color:#fffaf0;"></div>
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==See Also==
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The line below this paragraph, {{ABSTRACT_PUBMED_22386244}}, adds the Publication Abstract to the page
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*[[Kallikrein 3D structures|Kallikrein 3D structures]]
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(as it appears on PubMed at http://www.pubmed.gov), where 22386244 is the PubMed ID number.
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== References ==
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<references/>
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{{ABSTRACT_PUBMED_22386244}}
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__TOC__
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</StructureSection>
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==About this Structure==
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[[4d8n]] is a 1 chain structure with sequence from [http://en.wikipedia.org/wiki/Homo_sapiens Homo sapiens]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=4D8N OCA].
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==Reference==
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<ref group="xtra">PMID:022386244</ref><references group="xtra"/>
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[[Category: Homo sapiens]]
[[Category: Homo sapiens]]
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[[Category: Chen, X.]]
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[[Category: Large Structures]]
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[[Category: Wang, R.]]
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[[Category: Chen X]]
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[[Category: Xia, T.]]
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[[Category: Wang R]]
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[[Category: Amidinothiophene]]
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[[Category: Xia T]]
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[[Category: Hk6]]
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[[Category: Human kallikrein 6]]
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[[Category: Hydrolase-hydrolase inhibitor complex]]
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[[Category: Protein-ligand complex]]
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[[Category: Serine protease]]
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Current revision

Human Kallikrein 6 Inhibitors with a para-Amidobenzylanmine P1 Group Carry a High Binding Efficiency

PDB ID 4d8n

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