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TargetBeta-ketoacyl-ACP synthase (KasA)
LigandBDBM50241313
Substrate/Competitorn/a
Meas. Tech.Binding Fluorescence Titrations
pH8.5±0
Kd 2.260e+5± 9.0e+3 nM
Citation Kapilashrami KBommineni GRMachutta CAKim PLai CTSimmerling CPicart FTonge PJ Thiolactomycin-based -Ketoacyl-AcpM Synthase A (KasA) Inhibitors: FRAGMENT-BASED INHIBITOR DISCOVERY USING TRANSIENT ONE-DIMENSIONAL NUCLEAR OVERHAUSER EFFECT NMR SPECTROSCOPY. J Biol Chem 288:6045-52 (2013) [PubMed]  Article
More Info.:Get all data from this article,   Solution Info,  Assay Method
 
Beta-ketoacyl-ACP synthase (KasA)
Name:Beta-ketoacyl-ACP synthase (KasA)
Synonyms:β-ketoacyl-ACP synthase I (KasA) | 3-oxoacyl-[acyl-carrier-protein] synthase 1
Type:Protein
Mol. Mass.:43305.57
Organism:Mycobacterium tuberculosis
Description:P9WQD9
Residue:416
Sequence:
MSQPSTANGGFPSVVVTAVTATTSISPDIESTWKGLLAGESGIHALEDEFVTKWDLAVKI
GGHLKDPVDSHMGRLDMRRMSYVQRMGKLLGGQLWESAGSPEVDPDRFAVVVGTGLGGAE
RIVESYDLMNAGGPRKVSPLAVQMIMPNGAAAVIGLQLGARAGVMTPVSACSSGSEAIAH
AWRQIVMGDADVAVCGGVEGPIEALPIAAFSMMRAMSTRNDEPERASRPFDKDRDGFVFG
EAGALMLIETEEHAKARGAKPLARLLGAGITSDAFHMVAPAADGVRAGRAMTRSLELAGL
SPADIDHVNAHGTATPIGDAAEANAIRVAGCDQAAVYAPKSALGHSIGAVGALESVLTVL
TLRDGVIPPTLNYETPDPEIDLDVVAGEPRYGDYRYAVNNSFGFGGHNVALAFGRY
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  Blast E-value cutoff:
BDBM50241313
n/a
NameBDBM50241313
Synonyms:(5R)-4-hydroxy-3,5-dimethyl-5-[(1E)-2-methylbuta-1,3-dienyl]thiophen-2(5H)-one | (R)-(+)-Thiolactomycin | (R)-4-Hydroxy-3,5-dimethyl-5-((E)-2-methyl-buta-1,3-dienyl)-5H-thiophen-2-one | (R,E)-4-hydroxy-3,5-dimethyl-5-(2-methylbuta-1,3-dienyl)thiophen-2(5H)-one | 5R-Thiolactomycin | CHEMBL399043 | TLM analog, 1
TypeSmall organic molecule
Emp. Form.C11H14O2S
Mol. Mass.210.293
SMILESCC1C(=O)S[C@](C)(\C=C(/C)C=C)C1=O |r|
Structure
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