SMTL ID : 2wkk.1

Identification of the glycan target of the nematotoxic fungal galectin CGL2 in Caenorhabditis elegans

Coordinates

PDB Format

Method

X-RAY DIFFRACTION 1.50 Å

Oligo State

homo-tetramer

Ligands

1 x FUC- GAL: beta-D-galactopyranose-(1-4)-alpha-L-fucopyranose(Non-covalent)

FUC-GAL.1: 7 residues within 4Å: Chain A: H.51, S.53, R.55, N.64, W.72, E.75, R.77 4 PLIP interactions: 4 interactions with chain A Hydrogen bonds: A:R.55, A:R.55, A:R.77, A:S.53, A:S.53, A:R.55, A:N.64

2 x NAG- FUC- GAL: beta-D-galactopyranose-(1-4)-alpha-L-fucopyranose-(1-6)-2-acetamido-2-deoxy-beta-D-glucopyranose

NAG-FUC-GAL.2: 8 residues within 4Å: Chain B: H.51, S.53, R.55, V.62, N.64, W.72, E.75, R.77 4 PLIP interactions: 4 interactions with chain B Hydrogen bonds: B:R.55, B:R.55, B:R.77, B:S.53, B:S.53, B:R.55, B:N.64 NAG-FUC-GAL.3: 8 residues within 4Å: Chain C: H.51, S.53, R.55, E.58, N.64, W.72, E.75, R.77 5 PLIP interactions: 5 interactions with chain C Hydrogen bonds: C:R.55, C:R.55, C:E.58, C:R.77, C:S.53, C:S.53, C:R.55, C:N.64, C:E.75

1 x FUC- GAL: beta-D-galactopyranose-(1-2)-alpha-L-fucopyranose(Non-functional Binders)

FUC-GAL.4: 8 residues within 4Å: Chain D: H.51, S.53, R.55, E.58, N.64, W.72, E.75, R.77 5 PLIP interactions: 5 interactions with chain D Hydrogen bonds: D:R.55, D:R.55, D:E.58, D:E.75, D:R.77, D:S.53, D:S.53, D:R.55, D:N.64, D:E.75

1 x GOL: GLYCEROL(Non-covalent)

GOL.5: 2 residues within 4Å: Chain C: R.85, P.86 1 PLIP interactions: 1 interactions with chain C Hydrogen bonds: C:P.86

1 x MG: MAGNESIUM ION(Non-covalent)

MG.6: 1 residues within 4Å: Chain C: T.36 No protein-ligand interaction detected (PLIP)

Links

RCSB   PDBe   PDBj   PDBsum   CATH   PLIP

Citation

Butschi, A. et al., Caenorhabditis Elegans N-Glycan Core Beta-Galactoside Confers Sensitivity Towards Nematotoxic Fungal Galectin Cgl2. Plos Pathog. (2010)

Release Date

2010-01-19

Peptides

GALECTIN-2: ABCD

SMTL:PDB

SMTL Chain Id:
PDB Chain Id:

A
A

B
B

C
C

D
D

GALECTIN-2

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