8TQG
Crystal Structure of Mtb Pks13 Thioesterase domain in complex with inhibitor X20419
Summary for 8TQG
Entry DOI | 10.2210/pdb8tqg/pdb |
Descriptor | Polyketide synthase Pks13, N-benzyl-2-{4-[4-(4,5-dimethoxy-1H-indole-2-carbonyl)piperazine-1-carbonyl]piperidin-1-yl}-6-methylpyrimidine-4-carboxamide, SULFATE ION, ... (4 entities in total) |
Functional Keywords | polyketide synthase, thioesterase, biosynthetic protein |
Biological source | Mycobacterium tuberculosis |
Total number of polymer chains | 1 |
Total formula weight | 32595.58 |
Authors | Krieger, I.V.,Sacchettini, J.C. (deposition date: 2023-08-07, release date: 2024-04-24, Last modification date: 2024-05-22) |
Primary citation | Krieger, I.V.,Yalamanchili, S.,Dickson, P.,Engelhart, C.A.,Zimmerman, M.D.,Wood, J.,Clary, E.,Nguyen, J.,Thornton, N.,Centrella, P.A.,Chan, B.,Cuozzo, J.W.,Gengenbacher, M.,Guie, M.A.,Guilinger, J.P.,Bienstock, C.,Hartl, H.,Hupp, C.D.,Jetson, R.,Satoh, T.,Yeoman, J.T.S.,Zhang, Y.,Dartois, V.,Schnappinger, D.,Keefe, A.D.,Sacchettini, J.C. Inhibitors of the Thioesterase Activity of Mycobacterium tuberculosis Pks13 Discovered Using DNA-Encoded Chemical Library Screening. Acs Infect Dis., 10:1561-1575, 2024 Cited by PubMed: 38577994DOI: 10.1021/acsinfecdis.3c00592 PDB entries with the same primary citation |
Experimental method | X-RAY DIFFRACTION (2.2 Å) |
Structure validation
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