6TSH

Beta-galactosidase in complex with deoxygalacto-nojirimycin

Summary for 6TSH

• Entry DOI: 10.2210/pdb6tsh/pdb
• EMDB information: 10563
• Descriptor: Beta-galactosidase, MAGNESIUM ION, (2R,3S,4R,5S)-2-(hydroxymethyl)piperidine-3,4,5-triol, ... (4 entities in total)
• Functional Keywords: bgal, nojirimycin, sugar binding protein
• Biological source: Escherichia coli
• Total number of polymer chains: 4
• Total formula weight: 474331.25

Authors

Saur, M.,Hartshorn, M.J.,Dong, J.,Reeks, J.,Bunkoczi, G.,Jhoti, H.,Williams, P.A. (deposition date: 2019-12-20, release date: 2020-01-08, 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

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

Experimental method

ELECTRON MICROSCOPY (2.3 Å)