6F2Q

Neutron crystal structure of perdeuterated galectin-3C in the ligand-free form

Summary for 6F2Q

Related6EXY 6EYM
DescriptorGalectin-3 (2 entities in total)
Functional Keywordsgalectin, hydrogen bonding, molecular recognition, perdeuteration, sugar binding protein
Biological sourceHomo sapiens (Human)
Total number of polymer chains1
Total molecular weight15701.05
Authors
Manzoni, F.,Blakeley, M.P.,Oksanen, E.,Logan, D.T. (deposition date: 2017-11-27, release date: 2018-05-02, Last modification date: 2018-06-06)
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 (1.03 Å)
NEUTRON DIFFRACTION (1.757 Å)
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Structure validation

ClashscoreRamachandran outliersSidechain outliers00 1.6%MetricValuePercentile RanksWorseBetterPercentile relative to all X-ray structuresPercentile relative to X-ray structures of similar resolution

More Asymmetric unit images

Molmil generated image of 6f2q
no rotation
Molmil generated image of 6f2q
rotated about x axis by 90°
Molmil generated image of 6f2q
rotated about y axis by 90°