2fxr
From Proteopedia
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|PDB= 2fxr |SIZE=350|CAPTION= <scene name='initialview01'>2fxr</scene>, resolution 2.50Å | |PDB= 2fxr |SIZE=350|CAPTION= <scene name='initialview01'>2fxr</scene>, resolution 2.50Å | ||
|SITE= | |SITE= | ||
| - | |LIGAND= <scene name='pdbligand=C3A:ALLYL {(1S)-1-[(5-{4-[(2,3-DIHYDRO-1H-INDEN-2-YLAMINO)CARBONYL]BENZYL}-1,2,4-OXADIAZOL-3-YL)CARBONYL]-3-PYRROLIDIN-3-YLPROPYL}CARBAMATE'>C3A</scene> | + | |LIGAND= <scene name='pdbligand=C3A:ALLYL+{(1S)-1-[(5-{4-[(2,3-DIHYDRO-1H-INDEN-2-YLAMINO)CARBONYL]BENZYL}-1,2,4-OXADIAZOL-3-YL)CARBONYL]-3-PYRROLIDIN-3-YLPROPYL}CARBAMATE'>C3A</scene> |
| - | |ACTIVITY= [http://en.wikipedia.org/wiki/Tryptase Tryptase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=3.4.21.59 3.4.21.59] | + | |ACTIVITY= <span class='plainlinks'>[http://en.wikipedia.org/wiki/Tryptase Tryptase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=3.4.21.59 3.4.21.59] </span> |
|GENE= TPSB2, TPS2 ([http://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=9606 Homo sapiens]) | |GENE= TPSB2, TPS2 ([http://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=9606 Homo sapiens]) | ||
| + | |DOMAIN= | ||
| + | |RELATEDENTRY=[[2fww|2FWW]], [[2fx4|2FX4]], [[2fx6|2FX6]] | ||
| + | |RESOURCES=<span class='plainlinks'>[http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=2fxr FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=2fxr OCA], [http://www.ebi.ac.uk/pdbsum/2fxr PDBsum], [http://www.rcsb.org/pdb/explore.do?structureId=2fxr RCSB]</span> | ||
}} | }} | ||
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[[Category: Tryptase]] | [[Category: Tryptase]] | ||
[[Category: Katz, B A.]] | [[Category: Katz, B A.]] | ||
| - | [[Category: C3A]] | ||
[[Category: activated ketone inhibitor]] | [[Category: activated ketone inhibitor]] | ||
[[Category: cra-29382]] | [[Category: cra-29382]] | ||
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[[Category: serine protease]] | [[Category: serine protease]] | ||
| - | ''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on | + | ''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Mon Mar 31 03:09:05 2008'' |
Revision as of 00:09, 31 March 2008
| |||||||
| , resolution 2.50Å | |||||||
|---|---|---|---|---|---|---|---|
| Ligands: | |||||||
| Gene: | TPSB2, TPS2 (Homo sapiens) | ||||||
| Activity: | Tryptase, with EC number 3.4.21.59 | ||||||
| Related: | 2FWW, 2FX4, 2FX6
| ||||||
| Resources: | FirstGlance, OCA, PDBsum, RCSB | ||||||
| Coordinates: | save as pdb, mmCIF, xml | ||||||
human beta tryptase II complexed with activated ketone inhibitor CRA-29382
Overview
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 Structure
2FXR is a Single protein structure of sequence from Homo sapiens. Full crystallographic information is available from OCA.
Reference
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
Page seeded by OCA on Mon Mar 31 03:09:05 2008
