SMTL ID : 5h9p.1

Crystal Structure of Human Galectin-3 CRD in Complex with TD139

Coordinates

PDB Format

Method

X-RAY DIFFRACTION 2.04 Å

Oligo State

monomer

Ligands

1 x TD2: 3-deoxy-3-[4-(3-fluorophenyl)-1H-1,2,3-triazol-1-yl]-beta-D-galactopyranosyl 3-deoxy-3-[4-(3-fluorophenyl)-1H-1,2,3-triazol-1-yl]-1-thio-beta-D-galactopyranoside(Non-covalent)

TD2.1: 11 residues within 4Å: Chain A: R.52, I.53, A.54, H.66, N.68, R.70, N.82, W.89, E.92, R.94, S.145 9 PLIP interactions: 9 interactions with chain A Hydrophobic interactions: A:A.54 Hydrogen bonds: A:H.66, A:R.70, A:R.70, A:N.82, A:R.94 pi-Stacking: A:H.66 pi-Cation interactions: A:R.52, A:R.94

Links

RCSB   PDBe   PDBj   PDBsum   CATH   PLIP

Citation

Hsieh, T.J. et al., Dual thio-digalactoside-binding modes of human galectins as the structural basis for the design of potent and selective inhibitors. Sci Rep (2016)

Release Date

2016-06-29

Peptides

Galectin-3: A

SMTL:PDB

SMTL Chain Id:
PDB Chain Id:

A
A

Galectin-3

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