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TitleElucidation of Hydrogen Bonding Patterns in Ligand-Free, Lactose- and Glycerol-Bound Galectin-3C by Neutron Crystallography to Guide Drug Design.
Journal, issue, pagesJ. Med. Chem., Vol. 61, Page 4412-4420, Year 2018
Publish dateNov 10, 2017 (structure data deposition date)
AuthorsManzoni, F. / Wallerstein, J. / Schrader, T.E. / Ostermann, A. / Coates, L. / Akke, M. / Blakeley, M.P. / Oksanen, E. / Logan, D.T.
External linksJ. Med. Chem. / PubMed:29672051
MethodsX-ray diffraction / neutron diffraction
Resolution1.03 - 1.7 Å
Structure data

PDB-6exy:
Neutron crystal structure of perdeuterated galectin-3C in complex with glycerol
Method: X-RAY DIFFRACTION / NEUTRON DIFFRACTION / Resolution: 1.1 Å

PDB-6eym:
Neutron crystal structure of perdeuterated galectin-3C in complex with lactose
Method: X-RAY DIFFRACTION / NEUTRON DIFFRACTION / Resolution: 1.7 Å

PDB-6f2q:
Neutron crystal structure of perdeuterated galectin-3C in the ligand-free form
Method: X-RAY DIFFRACTION / NEUTRON DIFFRACTION / Resolution: 1.03 Å

Chemicals

ChemComp-GOL:
GLYCEROL

ChemComp-HOH:
WATER

Source
  • homo sapiens (human)
KeywordsSUGAR BINDING PROTEIN / galectin / hydrogen bonding / molecular recognition / perdeuteration

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