Structure of the PksA Product Template domain in complex with a phosphopantetheine mimetic

Summary for 5KBZ

DescriptorNoranthrone synthase, (14R)-14-hydroxy-15,15-dimethyl-1-[5-({[(5-methyl-1,2-oxazol-3-yl)methyl]sulfanyl}methyl)-1,2-oxazol-3-yl]-4,9,13-trioxo-2-thia-5,8,12-triazahexadecan-16-yl dihydrogen phosphate (3 entities in total)
Functional Keywordsaflatoxin, polyketide synthase, polyketide, product template, dehydratase, double hot dog fold, cyclase, transcription
Biological sourceAspergillus parasiticus
Total number of polymer chains2
Total molecular weight84367.51
Tsai, S.C.,Burkart, M.D.,Townsend, C.A.,Barajas, J.F.,Shakya, G.,Topper, C.L.,Moreno, G.,Jackson, D.R.,Rivera, H.,La Clair, J.J.,Vagstad, A. (deposition date: 2016-06-03, release date: 2017-05-10, Last modification date: 2017-09-27)
Primary citation
Barajas, J.F.,Shakya, G.,Moreno, G.,Rivera, H.,Jackson, D.R.,Topper, C.L.,Vagstad, A.L.,La Clair, J.J.,Townsend, C.A.,Burkart, M.D.,Tsai, S.C.
Polyketide mimetics yield structural and mechanistic insights into product template domain function in nonreducing polyketide synthases.
Proc. Natl. Acad. Sci. U.S.A., 114:E4142-E4148, 2017
PubMed: 28484029 (PDB entries with the same primary citation)
DOI: 10.1073/pnas.1609001114
MImport into Mendeley
Experimental method

Structure validation

RfreeClashscoreRamachandran outliersSidechain outliersRSRZ outliers0.217400.6%2.7%MetricValuePercentile RanksWorseBetterPercentile relative to all X-ray structuresPercentile relative to X-ray structures of similar resolution