5V40
Crystal Structure of Mtb Pks13 Thioesterase domain in complex with inhibitor TAM6
Summary for 5V40
Entry DOI | 10.2210/pdb5v40/pdb |
Related | 5V3W 5V3X 5V3Y 5V3Z 5V41 5V42 |
Descriptor | Polyketide synthase Pks13 (Termination polyketide synthase), ethyl 4-[(dimethylamino)methyl]-5-hydroxy-2-phenyl-1-benzofuran-3-carboxylate (3 entities in total) |
Functional Keywords | thioesterase domain, tam6 complex, pks13, mycobacterium, polyketide synthase, mycolic acid condensation, tb structural genomics consortium, tbsgc, alpha/beta hydrolase, thioesterase, transferase-transferase inhibitor complex, transferase/transferase inhibitor |
Biological source | Mycobacterium tuberculosis |
Total number of polymer chains | 2 |
Total formula weight | 64234.25 |
Authors | Aggarwal, A.,Sacchettini, J.C. (deposition date: 2017-03-08, release date: 2017-07-05, Last modification date: 2023-10-04) |
Primary citation | Aggarwal, A.,Parai, M.K.,Shetty, N.,Wallis, D.,Woolhiser, L.,Hastings, C.,Dutta, N.K.,Galaviz, S.,Dhakal, R.C.,Shrestha, R.,Wakabayashi, S.,Walpole, C.,Matthews, D.,Floyd, D.,Scullion, P.,Riley, J.,Epemolu, O.,Norval, S.,Snavely, T.,Robertson, G.T.,Rubin, E.J.,Ioerger, T.R.,Sirgel, F.A.,van der Merwe, R.,van Helden, P.D.,Keller, P.,Bottger, E.C.,Karakousis, P.C.,Lenaerts, A.J.,Sacchettini, J.C. Development of a Novel Lead that Targets M. tuberculosis Polyketide Synthase 13. Cell, 170:249-259.e25, 2017 Cited by PubMed: 28669536DOI: 10.1016/j.cell.2017.06.025 PDB entries with the same primary citation |
Experimental method | X-RAY DIFFRACTION (1.991 Å) |
Structure validation
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