SMTL ID : 4q2f.1 (2 other biounits)

Galectin-1 in Complex with Ligand AN020

Coordinates

PDB Format

Method

X-RAY DIFFRACTION 1.40 Å

Oligo State

homo-dimer

Ligands

2 x 2XW: PROP-2-EN-1-YL 2-(ACETYLAMINO)-4-O-(3-O-{[1-(5-AMINO-1H-1,2,4-TRIAZOL-3-YL)-1H-1,2,3-TRIAZOL-4-YL]METHYL}-BETA-D-GALACTOPYRANOSYL)-2-DEOXY-BETA-D-GLUCOPYRANOSIDE

2XW.1: 15 residues within 4Å: Chain A: S.31, F.32, V.33, H.46, N.48, R.50, H.54, V.61, N.63, W.70, E.73, R.75, D.125, G.126, D.127 13 PLIP interactions: 13 interactions with chain A Hydrogen bonds: A:S.31, A:S.31, A:H.46, A:R.50, A:R.50, A:H.54, A:N.63, A:E.73, A:E.73, A:R.75 Water bridges: A:N.48 Salt bridges: A:R.50, A:H.54 2XW.3: 17 residues within 4Å: Chain B: S.31, F.32, V.33, H.46, N.48, R.50, H.54, G.55, D.56, V.61, N.63, W.70, E.73, R.75, D.125, G.126, D.127 19 PLIP interactions: 19 interactions with chain B Hydrogen bonds: B:S.31, B:H.46, B:R.50, B:R.50, B:H.54, B:N.63, B:E.73, B:E.73, B:R.75, B:D.125, B:D.125, B:D.125 Water bridges: B:H.54, B:H.54, B:H.54, B:E.73 Salt bridges: B:R.50, B:H.54, B:D.125

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

SO4.2: 2 residues within 4Å: Chain B: N.12, K.14 5 PLIP interactions: 2 interactions with chain B, 3 interactions with chain A Hydrogen bonds: B:N.12 Salt bridges: B:K.14 Water bridges: A:K.129, A:K.129, A:K.129

Links

RCSB   PDBe   PDBj   PDBsum   CATH   PLIP

Citation

Grimm, C. et al., Galectin-1 in Complex with Ligand AN020. To be Published

Release Date

2015-10-07

Peptides

Galectin-1: AB

SMTL:PDB

SMTL Chain Id:
PDB Chain Id:

A
A

B
B

Galectin-1

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