SMTL ID : 6i74.1

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

Coordinates

PDB Format

Method

X-RAY DIFFRACTION 0.96 Å

Oligo State

monomer

Ligands

1 x H5Z: (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(Non-covalent)

H5Z.1: 12 residues within 4Å: Chain A: R.32, I.33, A.34, H.46, N.48, R.50, V.60, N.62, W.69, E.72, S.125, G.126 11 PLIP interactions: 11 interactions with chain A Hydrogen bonds: A:H.46, A:R.50, A:N.62, A:E.72 Water bridges: A:H.46, A:R.50, A:W.69, A:W.69 pi-Stacking: A:H.46 pi-Cation interactions: A:R.32 Halogen bonds: A:N.48

Links

RCSB   PDBe   PDBj   PDBsum   CATH   PLIP

Citation

Kumar, R. et al., Substituted polyfluoroaryl interactions with an arginine side chain in galectin-3 are governed by steric-, desolvation and electronic conjugation effects. Org. Biomol. Chem. (2019)

Release Date

2019-01-23

Peptides

Galectin-3: A

SMTL:PDB

SMTL Chain Id:
PDB Chain Id:

A
A

Galectin-3

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