2dw5

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[[Image:2dw5.gif|left|200px]]
[[Image:2dw5.gif|left|200px]]
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{{Structure
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<!--
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|PDB= 2dw5 |SIZE=350|CAPTION= <scene name='initialview01'>2dw5</scene>, resolution 2.30&Aring;
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The line below this paragraph, containing "STRUCTURE_2dw5", creates the "Structure Box" on the page.
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|SITE=
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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=BFB:N-[(1S)-1-(AMINOCARBONYL)-4-(ETHANIMIDOYLAMINO)BUTYL]BENZAMIDE'>BFB</scene>, <scene name='pdbligand=CA:CALCIUM+ION'>CA</scene>, <scene name='pdbligand=SO4:SULFATE+ION'>SO4</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/Protein-arginine_deiminase Protein-arginine deiminase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=3.5.3.15 3.5.3.15] </span>
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or leave the SCENE parameter empty for the default display.
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|GENE= PADI4, PADI5, PDI5 ([http://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=9606 Homo sapiens])
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-->
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|DOMAIN=
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{{STRUCTURE_2dw5| PDB=2dw5 | SCENE= }}
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|RELATEDENTRY=[[2dew|2DEW]], [[2dex|2DEX]], [[2dey|2DEY]], [[1wd8|1WD8]], [[1wd9|1WD9]], [[1wda|1WDA]]
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|RESOURCES=<span class='plainlinks'>[http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=2dw5 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=2dw5 OCA], [http://www.ebi.ac.uk/pdbsum/2dw5 PDBsum], [http://www.rcsb.org/pdb/explore.do?structureId=2dw5 RCSB]</span>
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}}
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'''Crystal structure of human peptidylarginine deiminase 4 in complex with N-alpha-benzoyl-N5-(2-fluoro-1-iminoethyl)-L-ornithine amide'''
'''Crystal structure of human peptidylarginine deiminase 4 in complex with N-alpha-benzoyl-N5-(2-fluoro-1-iminoethyl)-L-ornithine amide'''
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[[Category: Sato, M.]]
[[Category: Sato, M.]]
[[Category: Thompson, P R.]]
[[Category: Thompson, P R.]]
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[[Category: protein-inhibitor complex]]
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[[Category: Protein-inhibitor complex]]
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''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Sun May 4 01:30:11 2008''
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''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Mon Mar 31 02:40:22 2008''
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Revision as of 22:30, 3 May 2008

Image:2dw5.gif

Template:STRUCTURE 2dw5

Crystal structure of human peptidylarginine deiminase 4 in complex with N-alpha-benzoyl-N5-(2-fluoro-1-iminoethyl)-L-ornithine amide


Overview

Protein arginine deiminase 4 (PAD4) is a transcriptional coregulator that catalyzes the calcium-dependent conversion of specific arginine residues in proteins to citrulline. Recently, we reported the synthesis and characterization of F-amidine, a potent and bioavailable irreversible inactivator of PAD4. Herein, we report our efforts to identify the steric and leaving group requirements for F-amidine-induced PAD4 inactivation, the structure of the PAD4-F-amidine x calcium complex, and in vivo studies with N-alpha-benzoyl-N5-(2-chloro-1-iminoethyl)-L-ornithine amide (Cl-amidine), a PAD4 inactivator with enhanced potency. The PAD4 inactivators described herein will be useful pharmacological probes in characterizing the incompletely defined physiological role(s) of this enzyme. In addition, they represent potential lead compounds for the treatment of rheumatoid arthritis because a growing body of evidence supports a role for PAD4 in the onset and progression of this chronic autoimmune disorder.

About this Structure

2DW5 is a Single protein structure of sequence from Homo sapiens. Full crystallographic information is available from OCA.

Reference

Inhibitors and inactivators of protein arginine deiminase 4: functional and structural characterization., Luo Y, Arita K, Bhatia M, Knuckley B, Lee YH, Stallcup MR, Sato M, Thompson PR, Biochemistry. 2006 Oct 3;45(39):11727-36. PMID:17002273 Page seeded by OCA on Sun May 4 01:30:11 2008

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