1kyn

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[[Image:1kyn.jpg|left|200px]]
[[Image:1kyn.jpg|left|200px]]
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{{Structure
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<!--
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|PDB= 1kyn |SIZE=350|CAPTION= <scene name='initialview01'>1kyn</scene>, resolution 3.50&Aring;
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The line below this paragraph, containing "STRUCTURE_1kyn", creates the "Structure Box" on the page.
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|SITE= <scene name='pdbsite=AC1:Ktp+Binding+Site+For+Residue+A+601'>AC1</scene> and <scene name='pdbsite=AC2:Ktp+Binding+Site+For+Residue+B+701'>AC2</scene>
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You may change the PDB parameter (which sets the PDB file loaded into the applet)
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|LIGAND= <scene name='pdbligand=KTP:(2-NAPHTHALEN-2-YL-1-NAPHTHALEN-1-YL-2-OXO-ETHYL)-PHOSPHONIC+ACID'>KTP</scene>
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or the SCENE parameter (which sets the initial scene displayed when the page is loaded),
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|ACTIVITY= <span class='plainlinks'>[http://en.wikipedia.org/wiki/Cathepsin_G Cathepsin G], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=3.4.21.20 3.4.21.20] </span>
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or leave the SCENE parameter empty for the default display.
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|GENE=
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-->
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|DOMAIN=<span class='plainlinks'>[http://www.ncbi.nlm.nih.gov/Structure/cdd/cddsrv.cgi?uid=cd00190 Tryp_SPc]</span>
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{{STRUCTURE_1kyn| PDB=1kyn | SCENE= }}
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|RELATEDENTRY=
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|RESOURCES=<span class='plainlinks'>[http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=1kyn FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=1kyn OCA], [http://www.ebi.ac.uk/pdbsum/1kyn PDBsum], [http://www.rcsb.org/pdb/explore.do?structureId=1kyn RCSB]</span>
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}}
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'''Cathepsin-G'''
'''Cathepsin-G'''
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[[Category: Powell, E T.]]
[[Category: Powell, E T.]]
[[Category: Recacha, R.]]
[[Category: Recacha, R.]]
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[[Category: hydrolase]]
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[[Category: Hydrolase]]
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[[Category: serine protease]]
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[[Category: Serine protease]]
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''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Fri May 2 23:19:47 2008''
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''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Wed Apr 2 11:31:27 2008''
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Revision as of 20:19, 2 May 2008

Image:1kyn.jpg

Template:STRUCTURE 1kyn

Cathepsin-G


Overview

The serine protease cathepsin G (EC 3.4.21.20; Cat G), which is stored in the azurophilic granules of neutrophils (polymorphonuclear leukocytes) and released on degranulation, has been implicated in various pathological conditions associated with inflammation. By employing high-throughput screening, we identified beta-ketophosphonic acid 1 as a moderate inhibitor of Cat G (IC(50) = 4.1 microM). We were fortunate to obtain a cocrystal of 1 with Cat G and solve its structure by X-ray crystallography (3.5 A). Structural details from the X-ray analysis of 1.Cat G served as a platform for optimization of this lead compound by structure-based drug design. With the aid of molecular modeling, substituents were attached to the 3-position of the 2-naphthyl ring of 1, which occupies the S1 pocket of Cat G, to provide an extension into the hydrophobic S3 region. Thus, we arrived at analogue 7 with an 80-fold potency improvement over 1 (IC(50) = 53 nM). From these results, it is evident that the beta-ketophosphonic acid unit can form the basis for a novel class of serine protease inhibitors.

About this Structure

1KYN is a Single protein structure of sequence from Homo sapiens. Full crystallographic information is available from OCA.

Reference

Nonpeptide inhibitors of cathepsin G: optimization of a novel beta-ketophosphonic acid lead by structure-based drug design., Greco MN, Hawkins MJ, Powell ET, Almond HR Jr, Corcoran TW, de Garavilla L, Kauffman JA, Recacha R, Chattopadhyay D, Andrade-Gordon P, Maryanoff BE, J Am Chem Soc. 2002 Apr 17;124(15):3810-1. PMID:11942800 Page seeded by OCA on Fri May 2 23:19:47 2008

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OCA

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