2dw5
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(New page: 200px<br /> <applet load="2dw5" size="450" color="white" frame="true" align="right" spinBox="true" caption="2dw5, resolution 2.30Å" /> '''Crystal structure o...)
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Revision as of 19:34, 12 November 2007
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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
Contents |
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.
Disease
Known diseases associated with this structure: Rheumatoid arthritis, susceptibility to OMIM:[605347]
About this Structure
2DW5 is a Single protein structure of sequence from Homo sapiens with CA, SO4 and BFB as ligands. Active as Protein-arginine deiminase, with EC number 3.5.3.15 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
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