Literature summary for 3.5.3.15 extracted from

Luo, Y.; Arita, K.; Bhatia, M.; Knuckley, B.; Lee, Y.H.; Stallcup, M.R.; Sato, M.; Thompson, P.R.
Inhibitors and inactivators of protein arginine deiminase 4: functional and structural characterization (2006), Biochemistry, 45, 11727-11736.

Search for more literature for 3.5.3.15

Application

Application	Comment	Organism
pharmacology	PAD4 inhibitors F-and Cl-amidine 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	Homo sapiens

Cloned(Commentary)

Cloned (Comment)	Organism
expression of PAD4	Homo sapiens

Inhibitors

Inhibitors	Comment	Organism	Structure
additional information	IC50 values for amidine derivatives, overview, inhibition mechanism and structure-activity relationships, overview	Homo sapiens
N-alpha-benzoyl-N5-(2-chloro-1-iminoethyl)-L-ornithine amide	i.e. Cl-amidine, a PAD4 inactivator with enhanced potency	Homo sapiens
N-alpha-benzoyl-N5-(2-fluoro-1-iminoethyl)-L-ornithine amide	i.e. F-amidine, a potent and bioavailable irreversible inactivator of PAD4, structure of the PAD4-F-amidine-calcium complex, overview	Homo sapiens

Metals/Ions

Metals/Ions	Comment	Organism	Structure
Ca2+	-	Homo sapiens

Natural Substrates/ Products (Substrates)

Natural Substrates	Organism	Comment (Nat. Sub.)	Natural Products	Comment (Nat. Pro.)	Rev.	Reac.
protein-L-arginine + H2O	Homo sapiens	PAD4 is a transcriptional coregulator that catalyzes the calcium-dependent conversion of specific arginine residues in proteins to citrulline and plays a role in the onset and progression of the chronic autoimmune disorder rheumatoid arthritis	protein-L-citrulline + NH3	-	?

Organism

Organism	UniProt	Comment	Textmining
Homo sapiens	Q9UM07	isozyme PAD4	-

Purification (Commentary)

Purification (Comment)	Organism
recombinant Pad4	Homo sapiens

Substrates and Products (Substrate)

Substrates	Comment Substrates	Organism	Products	Comment (Products)	Rev.	Reac.
N-alpha-benzoyl-L-arginine ethyl ester + H2O	-	Homo sapiens	N-alpha-benzoyl-L-citrulline ethyl ester + NH3	-	?
protein-L-arginine + H2O	-	Homo sapiens	protein-L-citrulline + NH3	-	?
protein-L-arginine + H2O	PAD4 is a transcriptional coregulator that catalyzes the calcium-dependent conversion of specific arginine residues in proteins to citrulline and plays a role in the onset and progression of the chronic autoimmune disorder rheumatoid arthritis	Homo sapiens	protein-L-citrulline + NH3	-	?

Synonyms

Synonyms	Comment	Organism
PAD4	-	Homo sapiens
protein arginine deiminase 4	-	Homo sapiens

Temperature Optimum [°C]

Temperature Optimum [°C]	Temperature Optimum Maximum [°C]	Comment	Organism
37	-	assay at	Homo sapiens

pH Optimum

pH Optimum Minimum	pH Optimum Maximum	Comment	Organism
8	-	assay at	Homo sapiens

Ki Value [mM]

Ki Value [mM]	Ki Value maximum [mM]	Inhibitor	Comment	Organism	Structure
additional information	-	additional information	inhibition kinetics	Homo sapiens
0.0059	-	N-alpha-benzoyl-N5-(2-chloro-1-iminoethyl)-L-ornithine amide	-	Homo sapiens
0.0216	-	N-alpha-benzoyl-N5-(2-fluoro-1-iminoethyl)-L-ornithine amide	-	Homo sapiens

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Release 2023.1 (January 2023)