9C1V

M. tuberculosis PKS13 acyltransferase (AT) domain in complex with SuFEx inhibitor CMX410

This is a non-PDB format compatible entry.

Summary for 9C1V

• Entry DOI: 10.2210/pdb9c1v/pdb
• Related: 9C0P 9C1C 9C1D
• Related PRD ID: PRD_900003
• Descriptor: Polyketide synthase Pks13, beta-D-fructofuranose-(2-1)-alpha-D-glucopyranose, PENTAETHYLENE GLYCOL, ... (6 entities in total)
• Functional Keywords: polyketide synthase, acyltransferase, tuberculosis, inhibitor, structural genomics, tb structural genomics consortium, tbsgc, transferase, transferase-transferse inhibitor complex, transferase/transferse inhibitor
• Biological source: Mycobacterium tuberculosis (strain ATCC 25618 / H37Rv)
• Total number of polymer chains: 2
• Total formula weight: 115452.74

Authors

Krieger, I.K.,Tang, S.,Sacchettini, J.C.,TB Structural Genomics Consortium (TBSGC) (deposition date: 2024-05-29, release date: 2025-05-07, Last modification date: 2025-08-06)

• Primary citation: Krieger, I.V.,Sukheja, P.,Yang, B.,Tang, S.,Selle, D.,Woods, A.,Engelhart, C.,Kumar, P.,Harbut, M.B.,Liu, D.,Tsuda, B.,Qin, B.,Bare, G.A.L.,Li, G.,Chi, V.,Gambacurta, J.,Hvizdos, J.,Reagan, M.,Jones, I.L.,Massoudi, L.M.,Woolhiser, L.K.,Cascioferro, A.,Kundrick, E.,Singh, P.,Reiley, W.,Ioerger, T.R.,Kandula, D.R.,McCabe, J.W.,Guo, T.,Alland, D.,Boshoff, H.I.,Schnappinger, D.,Robertson, G.T.,Mdluli, K.,Lee, K.J.,Dong, J.,Li, S.,Schultz, P.G.,Joseph, S.B.,Love, M.S.,Sharpless, K.B.,Petrassi, H.M.,Chatterjee, A.K.,Sacchettini, J.C.,McNamara, C.W.; SuFEx-based antitubercular compound irreversibly inhibits Pks13; Nature, 2025; DOI: 10.1038/s41586-025-09286-3

Experimental method

X-RAY DIFFRACTION (2.57 Å)