SMTL ID : 3ayd.1

Crystal structure of galectin-3 CRD domian complexed with TFN

Coordinates

PDB Format

Method

X-RAY DIFFRACTION 1.90 Å

Oligo State

monomer

Ligands

2 x A2G- GAL: beta-D-galactopyranose-(1-3)-2-acetamido-2-deoxy-alpha-D-galactopyranose(Non-functional Binders)(Non-covalent)

A2G-GAL.1: 11 residues within 4Å: Chain A: H.43, N.45, R.47, N.59, W.66, E.69, R.71 Ligands: A2G-GAL.2, NPO.3, NPO.4, SO4.7 5 PLIP interactions: 5 interactions with chain A Hydrogen bonds: A:R.47, A:R.47, A:R.71, A:H.43, A:R.47, A:N.59, A:E.69 Water bridges: A:E.69, A:R.29 A2G-GAL.2: 6 residues within 4Å: Chain A: N.51, R.71 Ligands: A2G-GAL.1, NPO.3, NPO.4, SO4.7 3 PLIP interactions: 3 interactions with chain A Water bridges: A:N.51, A:R.53, A:R.71

2 x NPO: P-NITROPHENOL(Non-functional Binders)(Non-covalent)

NPO.3: 3 residues within 4Å: Ligands: A2G-GAL.1, A2G-GAL.2, NPO.4 No protein-ligand interaction detected (PLIP) NPO.4: 3 residues within 4Å: Ligands: A2G-GAL.1, A2G-GAL.2, NPO.3 No protein-ligand interaction detected (PLIP)

4 x SO4: SULFATE ION(Non-functional Binders)

SO4.5: 1 residues within 4Å: Chain A: R.68 1 PLIP interactions: 1 interactions with chain A Salt bridges: A:R.68 SO4.6: 5 residues within 4Å: Chain A: R.36, R.109, V.110, K.111, K.112 7 PLIP interactions: 7 interactions with chain A Hydrogen bonds: A:K.111, A:K.112 Water bridges: A:R.36, A:R.36 Salt bridges: A:R.36, A:K.111, A:K.112 SO4.7: 5 residues within 4Å: Chain A: G.67, R.68, E.69 Ligands: A2G-GAL.1, A2G-GAL.2 3 PLIP interactions: 3 interactions with chain A Hydrogen bonds: A:G.67, A:E.69 Water bridges: A:N.59 SO4.8: 3 residues within 4Å: Chain A: Q.72, S.73, V.74 4 PLIP interactions: 4 interactions with chain A Hydrogen bonds: A:S.73, A:V.74 Water bridges: A:S.73, A:S.73

Links

RCSB   PDBe   PDBj   PDBsum   CATH   PLIP

Citation

Bian, C.F. et al., Structural basis for distinct binding properties of the human galectins to thomsen-friedenreich antigen. Plos One (2011)

Release Date

2011-10-12

Peptides

Galectin-3: A

SMTL:PDB

SMTL Chain Id:
PDB Chain Id:

A
A

Galectin-3

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