6EYM

Neutron crystal structure of perdeuterated galectin-3C in complex with lactose

Summary for 6EYM

DescriptorGalectin-3, BETA-LACTOSE (3 entities in total)
Functional Keywordsgalectin, hydrogen bonding, molecular recognition, perdeuteration, sugar binding protein
Biological sourceHomo sapiens (Human)
Total number of polymer chains1
Total molecular weight16043.35
Authors
Manzoni, F.,Coates, L.,Blakeley, M.P.,Oksanen, E.,Logan, D.T. (deposition date: 2017-11-13, release date: 2018-09-12, Last modification date: 2018-12-12)
Primary citation
Manzoni, F.,Wallerstein, J.,Schrader, T.E.,Ostermann, A.,Coates, L.,Akke, M.,Blakeley, M.P.,Oksanen, E.,Logan, D.T.
Elucidation of Hydrogen Bonding Patterns in Ligand-Free, Lactose- and Glycerol-Bound Galectin-3C by Neutron Crystallography to Guide Drug Design.
J. Med. Chem., 61:4412-4420, 2018
PubMed: 29672051 (PDB entries with the same primary citation)
DOI: 10.1021/acs.jmedchem.8b00081
MImport into Mendeley
Experimental method
X-RAY DIFFRACTION (1.1 Å)
NEUTRON DIFFRACTION (1.7 Å)
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Structure validation

ClashscoreRamachandran outliersSidechain outliers100MetricValuePercentile RanksWorseBetterPercentile relative to all X-ray structuresPercentile relative to X-ray structures of similar resolution