2025-03-08_00000253|ligand|9FYJ

N-terminal domain of human galectin-8 in complex with an alpha-galactoside ligand; X-ray diffraction 1.08Å

Protein #1 153 residues (97% resolved)

Raw Sequence ...

SLNNLQNIIYNPVIPFVGTIPDQLDPGTLIVIRGHVPSDADRFQVDLQNGSSMKPRADVAFHFNPRFKRAGCIVCNTLINEKWGREEITYDTPFKREKSFEIVIMVLKDKFQVAVNGKHTLLYGHRIGPEKIDTLGIYGKVNIHSIGFSFSSD

Canonical Sequence ...

SLNNLQNIIYNPVIPFVGTIPDQLDPGTLIVIRGHVPSDADRFQVDLQNGSSMKPRADVAFHFNPRFKRAGCIVCNTLINEKWGREEITYDTPFKREKSFEIVIMVLKDKFQVAVNGKHTLLYGHRIGPEKIDTLGIYGKVNIHSIGFSFSSD

Non polymer #2 A1IHE

InChI=1S/C25H24Cl2N2O7S/c1-3-8-34-23-22(35-12-20-28-17-7-4-13(24(32)33)9-18(17)29(20)2)21(31)19(11-30)36-25(23)37-14-5-6-15(26)16(27)10-14/h1,4-7,9-10,19,21-23,25,30-31H,8,11-12H2,2H3,(H,32,33)/t19-,21+,22+,23-,25-/m1/s1

InChI=1S/C25H24Cl2N2O7S/c1-3-8-34-23-22(35-12-20-28-17-7-4-13(24(32)33)9-18(17)29(20)2)21(31)19(11-30)36-25(23)37-14-5-6-15(26)16(27)10-14/h1,4-7,9-10,19,21-23,25,30-31H,8,11-12H2,2H3,(H,32,33)/t19-,21+,22+,23-,25-/m1/s1

SMILES: Cn1c2cc(ccc2nc1CO[C@H]3[C@H]([C@H](O[C@@H]([C@@H]3OCC#C)Sc4ccc(c(c4)Cl)Cl)CO)O)C(=O)O

Cn1c2cc(ccc2nc1CO[C@H]3[C@H]([C@H](O[C@@H]([C@@H]3OCC#C)Sc4ccc(c(c4)Cl)Cl)CO)O)C(=O)O

Non polymer #3 CL

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

SMILES: [Cl-]

[Cl-]

Biounit #1 homo-dimer

Reference