SMTL ID : 6b94.1 (1 other biounit)

Crystal structure of Human galectin-1 in complex with Lactulose

Coordinates

PDB Format

Method

X-RAY DIFFRACTION 1.80 Å

Oligo State

monomer

Ligands

1 x FRU- GAL: beta-D-galactopyranose-(1-4)-beta-D-fructofuranose(Non-covalent)

FRU-GAL.1: 8 residues within 4Å: Chain A: H.44, N.46, R.48, H.52, N.61, W.68, E.71, R.73 6 PLIP interactions: 6 interactions with chain A Hydrogen bonds: A:R.48, A:R.48, A:E.71, A:R.73, A:N.46, A:R.48, A:H.52, A:N.61, A:E.71 Water bridges: A:N.46

5 x BME: BETA-MERCAPTOETHANOL(Non-functional Binders)

BME.2: 8 residues within 4Å: Chain A: C.42, F.91, L.96, N.110, L.112, N.113, L.114, I.117 3 PLIP interactions: 3 interactions with chain A Hydrogen bonds: A:N.110, A:N.110, A:L.114 BME.3: 4 residues within 4Å: Chain A: C.16, C.88, I.89, K.99 No protein-ligand interaction detected (PLIP) BME.4: 5 residues within 4Å: Chain A: R.18, E.86, C.88, K.99, L.100 1 PLIP interactions: 1 interactions with chain A Hydrogen bonds: A:E.86 BME.5: 6 residues within 4Å: Chain A: R.18, R.20, E.86, C.130, V.131, A.132 2 PLIP interactions: 2 interactions with chain A Hydrogen bonds: A:R.20, A:E.86 BME.6: 7 residues within 4Å: Chain A: I.58, C.60, Q.72, E.74, F.106, K.107, F.108 2 PLIP interactions: 2 interactions with chain A Hydrogen bonds: A:Q.72, A:E.74

Links

RCSB   PDBe   PDBj   PDBsum   CATH   PLIP

Citation

Kishor, C. et al., Lactulose as a novel template for anticancer drug development targeting galectins. Chem.Biol.Drug Des. (2018)

Release Date

2018-10-10

Peptides

Galectin-1: A

SMTL:PDB

SMTL Chain Id:
PDB Chain Id:

A
A

Galectin-1

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