2AQB

Structure-activity relationships at the 5-position of thiolactomycin: an intact 5(R)-isoprene unit is required for activity against the condensing enzymes from Mycobacterium tuberculosis and Escherchia coli

Summary for 2AQB

Related1FJ4 2AQ7
Descriptor3-oxoacyl-[acyl-carrier-protein] synthase I, (5R)-5-[(1E)-BUTA-1,3-DIENYL]-4-HYDROXY-3,5-DIMETHYLTHIOPHEN-2(5H)-ONE (3 entities in total)
Functional Keywordsfabb-ligand active-site complex, transferase
Biological sourceEscherichia coli
Cellular locationCytoplasm P0A953
Total number of polymer chains4
Total molecular weight171213.61
Authors
Kim, P.,Zhang, Y.M.,Shenoy, G.,Nguyen, Q.A.,Boshoff, H.I.,Manjunatha, U.H.,Goodwin, M.B.,Lonsdale, J.,Price, A.C.,Miller, D.J. (deposition date: 2005-08-17, release date: 2006-01-17, Last modification date: 2017-10-11)
Primary citation
Kim, P.,Zhang, Y.M.,Shenoy, G.,Nguyen, Q.A.,Boshoff, H.I.,Manjunatha, U.H.,Goodwin, M.B.,Lonsdale, J.,Price, A.C.,Miller, D.J.,Duncan, K.,White, S.W.,Rock, C.O.,Barry III, C.E.,Dowd, C.S.
Structure-Activity Relationships at the 5-Position of Thiolactomycin: An Intact (5R)-Isoprene Unit Is Required for Activity against the Condensing Enzymes from Mycobacterium tuberculosis and Escherichia coli
J.Med.Chem., 49:159-171, 2006
PubMed: 16392800 (PDB entries with the same primary citation)
DOI: 10.1021/jm050825p
MImport into Mendeley
Experimental method
X-RAY DIFFRACTION (2.19 Å)
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Structure validation

RfreeClashscoreRamachandran outliersSidechain outliersRSRZ outliers0.19240.4%5.1%1.1%MetricValuePercentile RanksWorseBetterPercentile relative to all X-ray structuresPercentile relative to X-ray structures of similar resolution