6QLR

Galectin-3C in complex with fluoroaryltriazole monothiogalactoside derivative 5

Summary for 6QLR

DescriptorGalectin-3, (2~{R},3~{R},4~{S},5~{R},6~{S})-4-[4-[3,5-bis(fluoranyl)phenyl]-1,2,3-triazol-1-yl]-2-(hydroxymethyl)-6-(4-methylphenyl)sulfanyl-oxane-3,5-diol, CHLORIDE ION, ... (4 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 weight16185.97
Authors
Kumar, R.,Peterson, K.,Nilsson, U.J.,Logan, D.T. (deposition date: 2019-02-01, release date: 2019-07-10)
Primary citation
Kumar, R.,Ignjatovic, M.M.,Peterson, K.,Olsson, M.,Leffler, H.,Ryde, U.,Nilsson, U.J.,Logan, D.T.
Structure and energetics of ligand-fluorine interactions with galectin-3 backbone and side-chain amides - insight into solvation effects and multipolar interactions.
Chemmedchem, 2019
PubMed: 31246331 (PDB entries with the same primary citation)
DOI: 10.1002/cmdc.201900293
MImport into Mendeley
Experimental method
X-RAY DIFFRACTION (0.97 Å)
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Structure validation

RfreeClashscoreRamachandran outliersSidechain outliersRSRZ outliers 0.155200 0.7%MetricValuePercentile RanksWorseBetterPercentile relative to all X-ray structuresPercentile relative to X-ray structures of similar resolution