SMTL ID : 5oax.1

Galectin-3c in complex with thiogalactoside derivate

Coordinates

PDB Format

Method

X-RAY DIFFRACTION 1.20 Å

Oligo State

monomer

Ligands

1 x 9Q5: 5,6-bis(fluoranyl)-3-[[(2~{S},3~{R},4~{S},5~{S},6~{R})-2-[(2~{S},3~{R},4~{S},5~{R},6~{R})-4-[4-(3-fluorophenyl)-1,2,3-triazol-1-yl]-6-(hydroxymethyl)-3,5-bis(oxidanyl)oxan-2-yl]sulfanyl-6-(hydroxymethyl)-3,5-bis(oxidanyl)oxan-4-yl]oxymethyl]chromen-2-one(Non-covalent)

9Q5.1: 8 residues within 4Å: Chain A: R.32, H.46, N.48, R.50, N.62, W.69, E.72, R.74 11 PLIP interactions: 11 interactions with chain A Hydrogen bonds: A:R.50, A:R.50, A:N.62, A:R.74 Water bridges: A:R.32, A:R.32, A:N.48 Salt bridges: A:R.32 pi-Cation interactions: A:R.32, A:R.32, A:R.74

Links

RCSB   PDBe   PDBj   PDBsum   CATH   PLIP

Citation

Peterson, K. et al., Systematic Tuning of Fluoro-galectin-3 Interactions Provides Thiodigalactoside Derivatives with Single-Digit nM Affinity and High Selectivity. J. Med. Chem. (2018)

Release Date

2018-05-02

Peptides

Galectin-3: A

SMTL:PDB

SMTL Chain Id:
PDB Chain Id:

A
A

Galectin-3

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