6TTE

Beta-galactosidase in complex with PETG

Summary for 6TTE

Entry DOI	10.2210/pdb6tte/pdb
EMDB information	10563 10564 10574
Descriptor	Beta-galactosidase, MAGNESIUM ION, 2-phenylethyl 1-thio-beta-D-galactopyranoside, ... (4 entities in total)
Functional Keywords	bgal, petg, sugar binding protein
Biological source	Escherichia coli
Total number of polymer chains	4
Total formula weight	474880.05
Authors	Saur, M.,Hartshorn, M.J.,Dong, J.,Reeks, J.,Bunkoczi, G.,Jhoti, H.,Williams, P.A. (deposition date: 2019-12-27, release date: 2020-01-15, Last modification date: 2024-05-22)
Primary citation	Saur, M.,Hartshorn, M.J.,Dong, J.,Reeks, J.,Bunkoczi, G.,Jhoti, H.,Williams, P.A. Fragment-based drug discovery using cryo-EM. Drug Discov Today, 25:485-490, 2020 Cited by PubMed Abstract: Recent advances in electron cryo-microscopy (cryo-EM) structure determination have pushed the resolutions obtainable by the method into the range widely considered to be of utility for drug discovery. Here, we review the use of cryo-EM in fragment-based drug discovery (FBDD) based on in-house method development. We demonstrate not only that cryo-EM can reveal details of the molecular interactions between fragments and a protein, but also that the current reproducibility, quality, and throughput are compatible with FBDD. We exemplify this using the test system β-galactosidase (Bgal) and the oncology target pyruvate kinase 2 (PKM2). PubMed: 31877353 DOI: 10.1016/j.drudis.2019.12.006 PDB entries with the same primary citation
Experimental method	ELECTRON MICROSCOPY (2.2 Å)

Structure validation