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Target
Protein kinase YpkA
Ligand
BDBM22042
Substrate
myelin basic protein
Meas. Tech.
Radiological Kinase Inhibition Assay
pH
7.5±n/a
Temperature
295.15±n/a K
IC50
1810±330 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 
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:
BDBM22042
Synonyms:
(3Z)-5-bromo-3-[3-(3-chlorophenyl)-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene]-1,3-dihydro-2H-indol-2-one | 1,3-dihydro-2H-indol-2-one, 1 | 5-[(3Z)-5-bromo-2-oxo-2,3-dihydro-1H-indol-3-ylidene]-3-(3-chlorophenyl)-2-sulfanylidene-1,3-thiazolidin-4-one
Type:
Small organic molecule
Emp. Form.:
C17H8BrClN2O2S2
Mol. Mass.:
451.745
SMILES:
Clc1cccc(c1)N1C(=S)S\C(C1=O)=C1/C(=O)Nc2ccc(Br)cc12
Structure:
Search PDB for entries with ligand similarity:
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