SMTL ID : 4y24.1

Complex of human Galectin-1 and TD-139

Coordinates

PDB Format

Method

X-RAY DIFFRACTION 2.32 Å

Oligo State

homo-dimer

Ligands

2 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: 14 residues within 4Å: Chain A: S.49, F.50, V.51, H.64, N.66, R.68, H.72, D.74, N.81, W.88, E.91, R.93, D.143, G.144 8 PLIP interactions: 8 interactions with chain A Hydrophobic interactions: A:V.51 Hydrogen bonds: A:R.68, A:R.68, A:H.72, A:N.81, A:R.93 pi-Stacking: A:H.64 pi-Cation interactions: A:R.93 TD2.2: 14 residues within 4Å: Chain B: S.49, F.50, V.51, H.64, N.66, R.68, H.72, D.74, N.81, W.88, E.91, R.93, D.143, G.144 9 PLIP interactions: 9 interactions with chain B Hydrophobic interactions: B:V.51, B:D.143 Hydrogen bonds: B:N.66, B:R.68, B:R.68, B:N.81, B:R.93 pi-Cation interactions: B:H.64 Halogen bonds: B:S.49

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

2016-04-27

Peptides

Galectin-1: AB

SMTL:PDB

SMTL Chain Id:
PDB Chain Id:

A
A

B
B

Galectin-1

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