2025-03-22_00000243|ligand|9FDC

Co-crystal structure of Galectin-3 with an inhibitor; X-ray diffraction 1.78Å
Protein #1 138 residues (100% resolved)

PLIVPYNLPLPGGVVPRMLITILGTVKPNANRIALDFQRGNDVAFHFNPRFNENNRRVIVCNTKLDNNWGREERQSVFPFESGKPFKIQVLVEPDHFKVAVNDAHLLQYNHRVKKLNEISKLGISGDIDLTSASYTMI

PLIVPYNLPLPGGVVPRMLITILGTVKPNANRIALDFQRGNDVAFHFNPRFNENNRRVIVCNTKLDNNWGREERQSVFPFESGKPFKIQVLVEPDHFKVAVNDAHLLQYNHRVKKLNEISKLGISGDIDLTSASYTMI
Non polymer #2 2PE

InChI=1S/C18H38O10/c19-1-3-21-5-7-23-9-11-25-13-15-27-17-18-28-16-14-26-12-10-24-8-6-22-4-2-20/h19-20H,1-18H2

C(COCCOCCOCCOCCOCCOCCOCCOCCO)O
Non polymer #3 A1IB4

InChI=1S/C22H19Cl2F3N4O5/c1-30(12-5-10(23)4-11(24)6-12)22(35)21-20(34)18(19(33)16(8-32)36-21)31-7-15(28-29-31)9-2-13(25)17(27)14(26)3-9/h2-7,16,18-21,32-34H,8H2,1H3/t16-,18+,19+,20-,21-/m1/s1

CN(c1cc(cc(c1)Cl)Cl)C(=O)[C@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)n3cc(nn3)c4cc(c(c(c4)F)F)F)O
Non polymer #4 SCN

InChI=1S/CHNS/c2-1-3/h3H/p-1

C(#N)[S-]
Download coordinates
Reference