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Structure paper

TitleAre crystallographic B-factors suitable for calculating protein conformational entropy?
Journal, issue, pagesPhys Chem Chem Phys, Vol. 21, Page 18149-18160, Year 2019
Publish dateApr 22, 2019 (structure data deposition date)
AuthorsCaldararu, O. / Kumar, R. / Oksanen, E. / Logan, D.T. / Ryde, U.
External linksPhys Chem Chem Phys / PubMed:31389436
MethodsX-ray diffraction
Resolution1.299 - 1.596 Å
Structure data

PDB-6rhl:
Room temperature data of Galectin-3C in complex with a pair of enantiomeric ligands: R enantiomer
Method: X-RAY DIFFRACTION / Resolution: 1.299 Å

PDB-6rhm:
Room temperature data of Galectin-3C in complex with a pair of enantiomeric ligands: S enantiomer
Method: X-RAY DIFFRACTION / Resolution: 1.596 Å

Chemicals

ChemComp-J0T:
(2~{S},3~{R},4~{S},5~{R},6~{R})-4-[4-(3-fluorophenyl)-1,2,3-triazol-1-yl]-2-[(2~{R})-3-[4-(3-fluorophenyl)-1,2,3-triazol-1-yl]-2-oxidanyl-propyl]sulfanyl-6-(hydroxymethyl)oxane-3,5-diol

ChemComp-HOH:
WATER

ChemComp-J1E:
(2~{S},3~{R},4~{S},5~{R},6~{R})-4-[4-(3-fluorophenyl)-1,2,3-triazol-1-yl]-2-[(2~{S})-3-[4-(3-fluorophenyl)-1,2,3-triazol-1-yl]-2-oxidanyl-propyl]sulfanyl-6-(hydroxymethyl)oxane-3,5-diol

Source
  • homo sapiens (human)
KeywordsSUGAR BINDING PROTEIN / LECTIN / CARBOHYDRATE-BINDING PROTEIN / GALACTOSE-SPECIFIC LECTIN 3 / GALACTOSIDE-BINDING PROTEIN / GALBP / IGE-6 BINDING PROTEIN / L-31 / LAMININ-BINDING PROTEIN / LECTIN L-29 / MAC-2

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