SMTL ID : 5nf9.1

Structure of Galectin-3 CRD in complex with compound 2

Coordinates

PDB Format

Method

X-RAY DIFFRACTION 1.87 Å

Oligo State

monomer

Ligands

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

8VW.1: 9 residues within 4Å: Chain A: H.55, N.57, R.59, E.62, V.69, N.71, W.78, E.81, R.83 10 PLIP interactions: 10 interactions with chain A Hydrogen bonds: A:N.57, A:R.59, A:R.59, A:N.71, A:R.83 Water bridges: A:R.41, A:N.57, A:E.62 Salt bridges: A:R.59 pi-Cation interactions: A:R.83

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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