SMTL ID : 7be3.1

Human Galectin-3 in complex with LacdiNAc

Coordinates

PDB Format

Method

X-RAY DIFFRACTION 1.25 Å

Oligo State

monomer

Ligands

1 x NDG- NGA: 2-acetamido-2-deoxy-beta-D-galactopyranose-(1-4)-2-acetamido-2-deoxy-alpha-D-glucopyranose(Non-covalent)

NDG-NGA.1: 8 residues within 4Å: Chain A: R.32, H.46, N.48, R.50, N.62, W.69, E.72, R.74 7 PLIP interactions: 7 interactions with chain A Hydrogen bonds: A:R.50, A:R.50, A:R.74, A:R.32, A:R.32, A:R.50, A:N.62 Water bridges: A:R.32, A:R.32, A:E.53, A:W.69, A:E.72, A:N.48, A:N.48, A:W.69

1 x GOL: GLYCEROL(Non-functional Binders)

GOL.2: 3 residues within 4Å: Chain A: R.39, K.115 Ligands: CL.3 2 PLIP interactions: 2 interactions with chain A Hydrogen bonds: A:R.39, A:R.39

1 x CL: CHLORIDE ION(Non-functional Binders)

CL.3: 4 residues within 4Å: Chain A: V.113, K.114, K.115 Ligands: GOL.2 Ligand excluded by PLIP

Links

RCSB   PDBe   PDBe-KB   PDBj   PDBsum   CATH   PLIP

Citation

Lima, C.D.L. et al., Structural insights into the molecular recognition mechanism of the cancer and pathogenic epitope, LacdiNAc by immune-related lectins. Chemistry (2021)

Release Date

2021-04-21

Peptides

Galectin-3: A

SMTL:PDB

SMTL Chain Id:
PDB Chain Id:

A
A

Galectin-3

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