Reaction Details
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Protein kinase YpkA
Ligand
BDBM22043
Substrate
myelin basic protein
Meas. Tech.
Radiological Kinase Inhibition Assay
pH
7.5±n/a
Temperature
295.15±n/a K
IC50
19840±4320 nM
Citation
Hu, X; Prehna, G; Stebbins, CE Targeting plague virulence factors: a combined machine learning method and multiple conformational virtual screening for the discovery of Yersinia protein kinase A inhibitors. J Med Chem 50:3980-3 (2007) [PubMed] Article More Info.:
Target
Name:
Protein kinase YpkA
Synonyms:
Protein kinase A | Targeted effector protein kinase | YPKA_YERPE | ypkA
Type:
Serine/Threonine Protein Kinase
Mol. Mass.:
81763.80
Organism:
Yersinia pestis
Description:
The YpkA gene was cloned from the Yersinia virulence plasmid (from J. Bliska, State University of New York at Stony Brook) as an N-terminal fusion with glutathione-S-transferase (GST). GST-YpkA was further purified by affinity chromatography using glutathione sepharose beads.
Residue:
732
Sequence:
MKSVKIMGTMPPSISLAKAHERISQHWQNPVGELNIGGKRYRIIDNQVLRLNPHSGFSLFREGVGKIFSGKMFNFSIARNLTDTLHAAQKTTSQELRSDIPNALSNLFGAKPQTELPLGWKGEPLSGAPDLEGMRVAETDKFAEGESHISIIETKDKQRLVAKIERSIAEGHLFAELEAYKHIYKTAGKHPNLANVHGMAVVPYGNRKEEALLMDEVDGWRCSDTLRTLADSWKQGKINSEAYWGTIKFIAHRLLDVTNHLAKAGVVHNDIKPGNVVFDRASGEPVVIDLGLHSRSGEQPKGFTESFKAPELGVGNLGASEKSDVFLVVSTLLHCIEGFEKNPEIKPNQGLRFITSEPAHVMDENGYPIHRPGIAGVETAYTRFITDILGVSADSRPDSNEARLHEFLSDGTIDEESAKQILKDTLTGEMSPLSTDVRRITPKKLRELSDLLRTHLSSAATKQLDMGGVLSDLDTMLVALDKAEREGGVDKDQLKSFNSLILKTYRVIEDYVKGREGDTKNSSTEVSPYHRSNFMLSIVEPSLQRIQKHLDQTHSFSDIGSLVRAHKHLETLLEVLVTLSQQGQPVSSETYGFLNRLTEAKITLSQQLNTLQQQQESAKAQLSILINRSGSWADVARQSLQRFDSTRPVVKFGTEQYTAIHRQMMAAHAAITLQEVSEFTDDMRNFTVDSIPLLIQLGRSSLMDEHLVEQREKLRELTTIAERLNRLEREWM
Inhibitor
Name:
BDBM22043
Synonyms:
N-(3-nitrophenyl)-9,10-dioxo-9,10-dihydroanthracene-2-sulfonamide | dihydroanthracene-2-sulfonamide, 2
Type:
Small organic molecule
Emp. Form.:
C20H12N2O6S
Mol. Mass.:
408.384
SMILES:
[O-][N+](=O)c1cccc(NS(=O)(=O)c2ccc3C(=O)c4ccccc4C(=O)c3c2)c1
Structure:
Substrate
Name:
myelin basic protein
Synonyms:
MBP | MBP_HUMAN | Myelin A1 protein | Myelin membrane encephalitogenic protein | biotin-MBP protein | biotin-myelin basic protein
Type:
Other Protein Type
Mol. Mass.:
33133.33
Organism:
Homo sapiens (Human)
Description:
n/a
Residue:
304
Sequence:
MGNHAGKRELNAEKASTNSETNRGESEKKRNLGELSRTTSEDNEVFGEADANQNNGTSSQDTAVTDSKRTADPKNAWQDAHPADPGSRPHLIRLFSRDAPGREDNTFKDRPSESDELQTIQEDSAATSESLDVMASQKRPSQRHGSKYLATASTMDHARHGFLPRHRDTGILDSIGRFFGGDRGAPKRGSGKDSHHPARTAHYGSLPQKSHGRTQDENPVVHFFKNIVTPRTPPPSQGKGRGLSLSRFSWGAEGQRPGFGYGGRASDYKSAHKGFKGVDAQGTLSKIFKLGGRDSRSGSPMARR