2fx4

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Revision as of 11:42, 21 November 2007 by OCA (talk | contribs) (New page: left|200px<br /><applet load="2fx4" size="450" color="white" frame="true" align="right" spinBox="true" caption="2fx4, resolution 1.65Å" /> '''Bovine trypsin bound...)
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File:2fx4.gif


2fx4, resolution 1.65Å

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Bovine trypsin bound by 4-piperidinebutyrate to make acylenzyme complex

OverviewOverview

Improved peptide-based inhibitors of human beta tryptase were discovered, using information gleaned from tripeptide library screening and, structure-guided design methods, including fragment screening. Our efforts, sought to improve this class of inhibitors by replacing the traditional, Lys or Arg P1 element. The optimized compounds display low nanomolar, potency against the mast cell target and several hundred-fold selectivity, with respect to serine protease off targets. Thus, replacement of Lys/Arg, at P1 in a peptide-like scaffold does not need to be accompanied by a loss, in target affinity.

About this StructureAbout this Structure

2FX4 is a Single protein structure of sequence from Bos taurus with CA and C1R as ligands. Active as Trypsin, with EC number 3.4.21.4 Full crystallographic information is available from OCA.

ReferenceReference

Structure-guided design of peptide-based tryptase inhibitors., McGrath ME, Sprengeler PA, Hirschbein B, Somoza JR, Lehoux I, Janc JW, Gjerstad E, Graupe M, Estiarte A, Venkataramani C, Liu Y, Yee R, Ho JD, Green MJ, Lee CS, Liu L, Tai V, Spencer J, Sperandio D, Katz BA, Biochemistry. 2006 May 16;45(19):5964-73. PMID:16681368

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