SMTL ID : 5nfb.1

Structure of Galectin-3 CRD in complex with compound 4

Coordinates

PDB Format

Method

X-RAY DIFFRACTION 1.59 Å

Oligo State

monomer

Ligands

1 x 8VT: ~{N}-[(2~{R},3~{R},4~{R},5~{S},6~{R})-2-acetamido-6-(hydroxymethyl)-5-[(2~{S},3~{R},4~{S},5~{S},6~{R})-6-(hydroxymethyl)-4-[(3-methoxyphenyl)methoxy]-3,5-bis(oxidanyl)oxan-2-yl]oxy-4-oxidanyl-oxan-3-yl]-3-methoxy-benzamide(Non-covalent)

8VT.1: 10 residues within 4Å: Chain A: R.70, H.84, N.86, R.88, E.91, N.92, N.100, W.107, E.110, R.112 8 PLIP interactions: 8 interactions with chain A Hydrogen bonds: A:N.86, A:R.88, A:R.88, A:N.100, A:R.112 Water bridges: A:N.86 Salt bridges: A:R.88 pi-Cation interactions: A:R.112

Links

RCSB   PDBe   PDBj   PDBsum   CATH   PLIP

Citation

Atmanene, C. et al., Biophysical and structural characterization of mono/di-arylated lactosamine derivatives interaction with human galectin-3. Biochem. Biophys. Res. Commun. (2017)

Release Date

2017-06-21

Peptides

Galectin-3: A

SMTL:PDB

SMTL Chain Id:
PDB Chain Id:

A
A

Galectin-3

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