| Reaction Details |
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 | Report a problem with these data |
| Target | 3-oxoacyl-[acyl-carrier-protein] synthase 1 [C171Q] |
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| Ligand | BDBM214777 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | Inhibition Kinetics Assay |
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| pH | 8.5±n/a |
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| Ki | 3.840e+5± 1.20e+4 nM |
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| Comments | extracted |
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| Citation |  Schiebel, J; Kapilashrami, K; Fekete, A; Bommineni, GR; Schaefer, CM; Mueller, MJ; Tonge, PJ; Kisker, C Structural basis for the recognition of mycolic acid precursors by KasA, a condensing enzyme and drug target from Mycobacterium tuberculosis. J Biol Chem288:34190-204 (2013) [PubMed] Article |
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| More Info.: | Get all data from this article, Assay Method |
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| 3-oxoacyl-[acyl-carrier-protein] synthase 1 [C171Q] |
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| Name: | 3-oxoacyl-[acyl-carrier-protein] synthase 1 [C171Q] |
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| Synonyms: | Beta-ketoacyl-ACP synthase I (C171Q KasA) | KASA_MYCTO | kasA |
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| Type: | Enzyme |
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| Mol. Mass.: | 43330.56 |
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| Organism: | Mycobacterium tuberculosis |
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| Description: | M. tuberculosis KasA C171Q mutant |
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| Residue: | 416 |
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| Sequence: | MSQPSTANGGFPSVVVTAVTATTSISPDIESTWKGLLAGESGIHALEDEFVTKWDLAVKI
GGHLKDPVDSHMGRLDMRRMSYVQRMGKLLGGQLWESAGSPEVDPDRFAVVVGTGLGGAE
RIVESYDLMNAGGPRKVSPLAVQMIMPNGAAAVIGLQLGARAGVMTPVSAQSSGSEAIAH
AWRQIVMGDADVAVCGGVEGPIEALPIAAFSMMRAMSTRNDEPERASRPFDKDRDGFVFG
EAGALMLIETEEHAKARGAKPLARLLGAGITSDAFHMVAPAADGVRAGRAMTRSLELAGL
SPADIDHVNAHGTATPIGDAAEANAIRVAGCDQAAVYAPKSALGHSIGAVGALESVLTVL
TLRDGVIPPTLNYETPDPEIDLDVVAGEPRYGDYRYAVNNSFGFGGHNVALAFGRY
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| BDBM214777 |
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| n/a |
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| Name | BDBM214777 |
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| Synonyms: | TLM18 |
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| Type | Small organic molecule |
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| Emp. Form. | C14H19N3O2S |
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| Mol. Mass. | 293.385 |
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| SMILES | C\C(C=C)=C/[C@@]1(C)SC(=O)C(CCCCN=[N+]=[N-])=C1O |r,c:17| |
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| Structure | 
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