6ahs: Difference between revisions

Revision as of 21:28, 28 October 2020

Mouse Kallikrein 7 in complex with imidazolinylindole derivative

Structural highlights

6ahs is a 1 chain structure with sequence from Lk3 transgenic mice. Full crystallographic information is available from OCA. For a guided tour on the structure components use FirstGlance.
Ligands:	9YO, CL, TRS
Gene:	Klk7, Prss6, Scce (LK3 transgenic mice)
Activity:	Stratum corneum chymotryptic enzyme, with EC number 3.4.21.117
Resources:	FirstGlance, OCA, PDBe, RCSB, PDBsum, ProSAT

Function

[KLK7_MOUSE] May catalyze the degradation of intercellular cohesive structures in the cornified layer of the skin in the continuous shedding of cells from the skin surface. Specific for amino acid residues with aromatic side chains in the P1 position. Cleaves insulin A chain at '14-Tyr-|-Gln-15' and insulin B chain at '6-Leu-|-Cys-7', '16-Tyr-|-Leu-17', '25-Phe-|-Tyr-26' and '26-Tyr-|-Thr-27'. Could play a role in the activation of precursors to inflammatory cytokines.

Publication Abstract from PubMed

A series of imidazolinylindole derivatives were discovered as novel kallikrein 7 (KLK7, stratum corneum chymotryptic enzyme) inhibitors. Structure-activity relationship (SAR) studies led to the identification of potent human KLK7 inhibitors. By further modification of the benzenesulfonyl moiety to overcome species differences in inhibitory activity, potent inhibitors against both human and mouse KLK7 were identified. Furthermore, the complex structure of 25 with mouse KLK7 could explain the SAR and the cause of the species differences in inhibitory activity.

Discovery and structure-activity relationship of imidazolinylindole derivatives as kallikrein 7 inhibitors.,Murafuji H, Muto T, Goto M, Imajo S, Sugawara H, Oyama Y, Minamitsuji Y, Miyazaki S, Murai K, Fujioka H Bioorg Med Chem Lett. 2019 Jan 15;29(2):334-338. doi: 10.1016/j.bmcl.2018.11.011., Epub 2018 Nov 8. PMID:30522951^[1]

From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.

References

↑ Murafuji H, Muto T, Goto M, Imajo S, Sugawara H, Oyama Y, Minamitsuji Y, Miyazaki S, Murai K, Fujioka H. Discovery and structure-activity relationship of imidazolinylindole derivatives as kallikrein 7 inhibitors. Bioorg Med Chem Lett. 2019 Jan 15;29(2):334-338. doi: 10.1016/j.bmcl.2018.11.011., Epub 2018 Nov 8. PMID:30522951 doi:https://dx.doi.org/10.1016/j.bmcl.2018.11.011

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OCA

[1] Murafuji H, Muto T, Goto M, Imajo S, Sugawara H, Oyama Y, Minamitsuji Y, Miyazaki S, Murai K, Fujioka H. Discovery and structure-activity relationship of imidazolinylindole derivatives as kallikrein 7 inhibitors. Bioorg Med Chem Lett. 2019 Jan 15;29(2):334-338. doi: 10.1016/j.bmcl.2018.11.011., Epub 2018 Nov 8. PMID:30522951 doi:https://dx.doi.org/10.1016/j.bmcl.2018.11.011

[1]

@@ Line 1: / Line 1: @@
 ==Mouse Kallikrein 7 in complex with imidazolinylindole derivative==
-<StructureSection load='6ahs' size='340' side='right' caption='[[6ahs]], [[Resolution|resolution]] 1.75&Aring;' scene=''>
+<StructureSection load='6ahs' size='340' side='right'caption='[[6ahs]], [[Resolution|resolution]] 1.75&Aring;' scene=''>
 == Structural highlights ==
-<table><tr><td colspan='2'>[[6ahs]] is a 1 chain structure. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=6AHS OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=6AHS FirstGlance]. <br>
+<table><tr><td colspan='2'>[[6ahs]] is a 1 chain structure with sequence from [http://en.wikipedia.org/wiki/Lk3_transgenic_mice Lk3 transgenic mice]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=6AHS OCA]. For a <b>guided tour on the structure components</b> use [http://proteopedia.org/fgij/fg.htm?mol=6AHS FirstGlance]. <br>
-</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=9YO:1-[(2-chlorophenyl)sulfonyl]-5-methyl-3-[(4R)-2-methyl-4,5-dihydro-1H-imidazol-4-yl]-1H-indole'>9YO</scene>, <scene name='pdbligand=CL:CHLORIDE+ION'>CL</scene>, <scene name='pdbligand=TRS:2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL'>TRS</scene></td></tr>
+</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=9YO:1-[(2-chlorophenyl)sulfonyl]-5-methyl-3-[(4R)-2-methyl-4,5-dihydro-1H-imidazol-4-yl]-1H-indole'>9YO</scene>, <scene name='pdbligand=CL:CHLORIDE+ION'>CL</scene>, <scene name='pdbligand=TRS:2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL'>TRS</scene></td></tr>
+<tr id='gene'><td class="sblockLbl"><b>[[Gene|Gene:]]</b></td><td class="sblockDat">Klk7, Prss6, Scce ([http://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=10090 LK3 transgenic mice])</td></tr>
 <tr id='activity'><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[http://en.wikipedia.org/wiki/Stratum_corneum_chymotryptic_enzyme Stratum corneum chymotryptic enzyme], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=3.4.21.117 3.4.21.117] </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=6ahs FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=6ahs OCA], [http://pdbe.org/6ahs PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=6ahs RCSB], [http://www.ebi.ac.uk/pdbsum/6ahs PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=6ahs ProSAT]</span></td></tr>
+<tr id='resources'><td class="sblockLbl"><b>Resources:</b></td><td class="sblockDat"><span class='plainlinks'>[http://proteopedia.org/fgij/fg.htm?mol=6ahs FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=6ahs OCA], [http://pdbe.org/6ahs PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=6ahs RCSB], [http://www.ebi.ac.uk/pdbsum/6ahs PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=6ahs ProSAT]</span></td></tr>
 </table>
 == Function ==
@@ Line 19: / Line 20: @@
 </div>
 <div class="pdbe-citations 6ahs" style="background-color:#fffaf0;"></div>
+==See Also==
+*[[Kallikrein 3D structures|Kallikrein 3D structures]]
 == References ==
 <references/>
 __TOC__
 </StructureSection>
+[[Category: Large Structures]]
+[[Category: Lk3 transgenic mice]]
 [[Category: Stratum corneum chymotryptic enzyme]]
 [[Category: Sugawara, H]]
 [[Category: Hydrolase]]
 [[Category: Protease]]

6ahs: Difference between revisions

Revision as of 21:28, 28 October 2020

Mouse Kallikrein 7 in complex with imidazolinylindole derivative

Structural highlights

Function

Publication Abstract from PubMed

See Also

References

Contents

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