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Target3-oxoacyl-[acyl-carrier-protein] synthase 1
LigandBDBM93059
Substrate/Competitorn/a
Meas. Tech.Binding Fluorescence Titrations
pH8.5±0
Kd 1.08e+4± 3e+2 nM
Citation Kapilashrami, KBommineni, GRMachutta, CAKim, PLai, CTSimmerling, CPicart, FTonge, PJ Thiolactomycin-based ß-Ketoacyl-AcpM Synthase A (KasA) Inhibitors: FRAGMENT-BASED INHIBITOR DISCOVERY USING TRANSIENT ONE-DIMENSIONAL NUCLEAR OVERHAUSER EFFECT NMR SPECTROSCOPY. J Biol Chem288:6045-52 (2013) [PubMed]  Article
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3-oxoacyl-[acyl-carrier-protein] synthase 1
Name:3-oxoacyl-[acyl-carrier-protein] synthase 1
Synonyms:β-ketoacyl-ACP synthase I (KasA) | 3-oxoacyl-[acyl-carrier-protein] synthase 1 | Beta-ketoacyl-ACP synthase (KasA) | KASA_MYCTU | kasA
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:
BDBM93059
n/a
NameBDBM93059
Synonyms:TLM analog, 16
TypeSmall molecule
Emp. Form.C26H28O2S
Mol. Mass.404.564
SMILESC\C(C=C)=C/[C@@]1(C)SC(=O)C(CCCCc2ccc(cc2)-c2ccccc2)C1=O |r|
Structure
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