6I74

Galectin-3C in complex with substituted polyfluoroaryl monothiogalactoside derivative 1

Summary for 6I74

DescriptorGalectin-3, (2~{R},3~{R},4~{S},5~{R},6~{S})-2-(hydroxymethyl)-6-(4-methylphenyl)sulfanyl-4-[4-[2,3,4,5,6-pentakis(fluoranyl)phenyl]-1,2,3-triazol-1-yl]oxane-3,5-diol (3 entities in total)
Functional Keywordslectin, 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, sugar binding protein
Biological sourceHomo sapiens (Human)
Total number of polymer chains1
Total molecular weight16204.49
Authors
Kumar, R.,Peterson, K.,Nilsson, U.J.,Logan, D.T. (deposition date: 2018-11-15, release date: 2019-01-23, Last modification date: 2019-02-13)
Primary citation
Kumar, R.,Peterson, K.,Misini Ignjatovic, M.,Leffler, H.,Ryde, U.,Nilsson, U.J.,Logan, D.T.
Substituted polyfluoroaryl interactions with an arginine side chain in galectin-3 are governed by steric-, desolvation and electronic conjugation effects.
Org. Biomol. Chem., 17:1081-1089, 2019
PubMed: 30632578 (PDB entries with the same primary citation)
DOI: 10.1039/c8ob02888e
MImport into Mendeley
Experimental method
X-RAY DIFFRACTION (0.959 Å)
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Structure validation

RfreeClashscoreRamachandran outliersSidechain outliersRSRZ outliers 0.147300 0.7%MetricValuePercentile RanksWorseBetterPercentile relative to all X-ray structuresPercentile relative to X-ray structures of similar resolution