Entry | Database: PDB / ID: 8q17 |
---|
Title | Identification and optimisation of novel inhibitors of the Polyketide synthetase 13 thioesterase domain with antitubercular activity |
---|
Components | Polyketide synthase Pks13 |
---|
Keywords | TRANSFERASE / inhibitor complex |
---|
Function / homology | Function and homology information
DIM/DIP cell wall layer assembly / fatty acid synthase activity / phosphopantetheine binding / 3-oxoacyl-[acyl-carrier-protein] synthase activity / Transferases; Acyltransferases; Transferring groups other than aminoacyl groups / fatty acid biosynthetic process / cytoplasmSimilarity search - Function Thioesterase / Thioesterase domain / Polyketide synthase, C-terminal extension / Ketoacyl-synthetase C-terminal extension / Malonyl-CoA ACP transacylase, ACP-binding / Acyl transferase domain superfamily / Acyl transferase / Acyl transferase domain / Acyl transferase domain in polyketide synthase (PKS) enzymes. / Acyl transferase/acyl hydrolase/lysophospholipase ...Thioesterase / Thioesterase domain / Polyketide synthase, C-terminal extension / Ketoacyl-synthetase C-terminal extension / Malonyl-CoA ACP transacylase, ACP-binding / Acyl transferase domain superfamily / Acyl transferase / Acyl transferase domain / Acyl transferase domain in polyketide synthase (PKS) enzymes. / Acyl transferase/acyl hydrolase/lysophospholipase / Ketosynthase family 3 (KS3) domain profile. / Polyketide synthase, phosphopantetheine-binding domain / Phosphopantetheine attachment site / Beta-ketoacyl synthase / Beta-ketoacyl synthase, active site / Ketosynthase family 3 (KS3) active site signature. / Polyketide synthase, beta-ketoacyl synthase domain / Beta-ketoacyl synthase, N-terminal / Beta-ketoacyl synthase, C-terminal / Beta-ketoacyl synthase, N-terminal domain / Beta-ketoacyl synthase, C-terminal domain / Thiolase-like / Phosphopantetheine attachment site / ACP-like superfamily / Carrier protein (CP) domain profile. / Phosphopantetheine binding ACP domain / Alpha/Beta hydrolase foldSimilarity search - Domain/homology |
---|
Biological species | Mycobacterium tuberculosis (bacteria) |
---|
Method | X-RAY DIFFRACTION / SYNCHROTRON / MOLECULAR REPLACEMENT / Resolution: 1.71 Å |
---|
Authors | Eadsforth, T.C. / Punekar, A.S. / Green, S.R. / Baragana, B. |
---|
Funding support | United Kingdom, United States, 2items Organization | Grant number | Country |
---|
Wellcome Trust | 100195/Z/12/Z | United Kingdom | Bill & Melinda Gates Foundation | OPP1066891 | United States |
|
---|
Citation | Journal: J.Med.Chem. / Year: 2023 Title: Identification and Optimization of Novel Inhibitors of the Polyketide Synthase 13 Thioesterase Domain with Antitubercular Activity. Authors: Green, S.R. / Wilson, C. / Eadsforth, T.C. / Punekar, A.S. / Tamaki, F.K. / Wood, G. / Caldwell, N. / Forte, B. / Norcross, N.R. / Kiczun, M. / Post, J.M. / Lopez-Roman, E.M. / Engelhart, C. ...Authors: Green, S.R. / Wilson, C. / Eadsforth, T.C. / Punekar, A.S. / Tamaki, F.K. / Wood, G. / Caldwell, N. / Forte, B. / Norcross, N.R. / Kiczun, M. / Post, J.M. / Lopez-Roman, E.M. / Engelhart, C.A. / Lukac, I. / Zuccotto, F. / Epemolu, O. / Boshoff, H.I.M. / Schnappinger, D. / Walpole, C. / Gilbert, I.H. / Read, K.D. / Wyatt, P.G. / Baragana, B. |
---|
History | Deposition | Jul 30, 2023 | Deposition site: PDBE / Processing site: PDBE |
---|
Revision 1.0 | Nov 22, 2023 | Provider: repository / Type: Initial release |
---|
Revision 1.1 | Dec 6, 2023 | Group: Database references / Category: citation / citation_author Item: _citation.journal_volume / _citation.page_first ..._citation.journal_volume / _citation.page_first / _citation.page_last / _citation_author.identifier_ORCID |
---|
|
---|