2026-09-12_00000057|ligand|28IM

Crystal structure of the human galectin-3 carbohydrate-recognition domain in complex with Methyl 3-O-toluensulfonyl-beta-D-galactopyranoside; X-ray diffraction 1.13Å

Protein #1 142 residues (97% resolved)

Raw Sequence ...

GAMGPLIVPYNLPLPGGVVPRMLITILGTVKPNANRIALDFQRGNDVAFHFNPRFNENNRRVIVCNTKLDNNWGREERQSVFPFESGKPFKIQVLVEPDHFKVAVNDAHLLQYNHRVKKLNEISKLGISGDIDLTSASYTMI

Canonical Sequence ...

GAMGPLIVPYNLPLPGGVVPRMLITILGTVKPNANRIALDFQRGNDVAFHFNPRFNENNRRVIVCNTKLDNNWGREERQSVFPFESGKPFKIQVLVEPDHFKVAVNDAHLLQYNHRVKKLNEISKLGISGDIDLTSASYTMI

Non polymer #2 A1J0A

InChI=1S/C14H20O8S/c1-8-3-5-9(6-4-8)23(18,19)22-13-11(16)10(7-15)21-14(20-2)12(13)17/h3-6,10-17H,7H2,1-2H3/t10-,11+,12-,13+,14-/m1/s1

SMILES: Cc1ccc(cc1)S(=O)(=O)O[C@H]2[C@H]([C@H](O[C@H]([C@@H]2O)OC)CO)O

Cc1ccc(cc1)S(=O)(=O)O[C@H]2[C@H]([C@H](O[C@H]([C@@H]2O)OC)CO)O

Non polymer #3 CL

InChI=1S/ClH/h1H/p-1

SMILES: [Cl-]

[Cl-]

Non polymer #4 MG

InChI=1S/Mg/q+2

SMILES: [Mg+2]

[Mg+2]

Non polymer #5 NA

InChI=1S/Na/q+1

SMILES: [Na+]

[Na+]

Biounit #1 monomer

Reference