PDBsum entry 6tsh

Sugar binding protein

PDB id: 6tsh

Contents

Protein chains

1015 a.a.

Ligands

DGJ ×4

Metals

_MG ×4

Waters ×864

PDB id:

6tsh

Name:

Sugar binding protein

Title:

Beta-galactosidase in complex with deoxygalacto-nojirimycin

Structure:

Beta-galactosidase. Chain: a, b, c, d. Synonym: beta-gal,lactase. Engineered: yes

Source:

Escherichia coli. Organism_taxid: 562. Gene: lacz. Expressed in: escherichia coli. Expression_system_taxid: 562.

Authors:

M.Saur,M.J.Hartshorn,J.Dong,J.Reeks,G.Bunkoczi,H.Jhoti,P.A.Williams

Key ref:

M.Saur et al. (2020). Fragment-based drug discovery using cryo-EM. Drug Discov Today, 25, 485-490. PubMed id: 31877353 DOI: 10.1016/j.drudis.2019.12.006

Date:

20-Dec-19 Release date: 08-Jan-20

Protein chains

P00722  (BGAL_ECOLI) -  Beta-galactosidase from Escherichia coli (strain K12)

Seq: 1024 a.a.

Struc: 1015 a.a.

Enzyme reactions

• Enzyme class: E.C.3.2.1.23 - beta-galactosidase.
• Reaction: Hydrolysis of terminal, non-reducing beta-D-galactose residues in beta-D-galactosides.

DOI no: 10.1016/j.drudis.2019.12.006

Drug Discov Today 25:485-490 (2020)

PubMed id: 31877353

Fragment-based drug discovery using cryo-EM.

M.Saur, M.J.Hartshorn, J.Dong, J.Reeks, G.Bunkoczi, H.Jhoti, P.A.Williams.

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).