2026-07-04_00000135|ligand|9RR8

Galectin-3 with a bound inhibitor; X-ray diffraction 1.30Å

Protein #1 138 residues (100% resolved)

Raw Sequence ...

PLIVPYNLPLPGGVVPRMLITILGTVKPNANRIALDFQRGNDVAFHFNPRFNENNRRVIVCNTKLDNNWGREERQSVFPFESGKPFKIQVLVEPDHFKVAVNDAHLLQYNHRVKKLNEISKLGISGDIDLTSASYTMI

Canonical Sequence ...

PLIVPYNLPLPGGVVPRMLITILGTVKPNANRIALDFQRGNDVAFHFNPRFNENNRRVIVCNTKLDNNWGREERQSVFPFESGKPFKIQVLVEPDHFKVAVNDAHLLQYNHRVKKLNEISKLGISGDIDLTSASYTMI

Non polymer #2 A1JIT

InChI=1S/C25H28F3N3O5S/c1-12-6-4-5-7-14(12)23(25(2,3)35)37-24-22(34)20(21(33)18(11-32)36-24)31-10-17(29-30-31)13-8-15(26)19(28)16(27)9-13/h4-10,18,20-24,32-35H,11H2,1-3H3/t18-,20+,21+,22-,23-,24+/m1/s1

InChI=1S/C25H28F3N3O5S/c1-12-6-4-5-7-14(12)23(25(2,3)35)37-24-22(34)20(21(33)18(11-32)36-24)31-10-17(29-30-31)13-8-15(26)19(28)16(27)9-13/h4-10,18,20-24,32-35H,11H2,1-3H3/t18-,20+,21+,22-,23-,24+/m1/s1

SMILES: Cc1ccccc1[C@H](C(C)(C)O)S[C@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)n3cc(nn3)c4cc(c(c(c4)F)F)F)O

Cc1ccccc1[C@H](C(C)(C)O)S[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 #3 CL

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

SMILES: [Cl-]

[Cl-]

Biounit #1 monomer

Reference