SMTL ID : 4jck.1

Galectin-3 carbohydrate recognition domain in complex with thioditaloside

Coordinates

PDB Format

Method

X-RAY DIFFRACTION 1.15 Å

Oligo State

monomer

Ligands

1 x TWJ- SDY: beta-D-talopyranose-(1-1)-1-thio-beta-D-talopyranose(Non-functional Binders)

TWJ-SDY.1: 6 residues within 4Å: Chain A: H.51, N.53, R.55, N.67, W.74, E.77 1 PLIP interactions: 1 interactions with chain A Hydrogen bonds: A:H.51, A:R.55, A:N.67, A:E.77 Water bridges: A:N.53, A:R.55, A:W.74, A:E.77

1 x CL: CHLORIDE ION

CL.2: 3 residues within 4Å: Chain A: V.118, K.119, K.120 Ligand excluded by PLIP

Links

RCSB   PDBe   PDBj   PDBsum   CATH   PLIP

Citation

Bum-Erdene, K. et al., Investigation into the feasibility of thioditaloside as a novel scaffold for galectin-3-specific inhibitors. Chembiochem (2013)

Release Date

2013-07-31

Peptides

Galectin-3: A

SMTL:PDB

SMTL Chain Id:
PDB Chain Id:

A
A

Galectin-3

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