2024-12-14_00000224
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ligand
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8RDC
Galectin-1 in complex with thiogalactoside derivative;
X-ray diffraction 1.70Å
Protein #1
135 residues (99% resolved)
Raw Sequence ...
MACGLVASNLNLKPGE(CME)LRVRGEVAPDAKSFVLNLGKDSNNLCLHFNPRFNAHGDANTIVCNSKDGGAWGTEQREAVFPFQPGSVAEV(CME)ITFDQANLTVKLPDGYEFKFPNRLNLEAINYMAADGDFKIK(CME)VAFD
Canonical Sequence ...
MACGLVASNLNLKPGECLRVRGEVAPDAKSFVLNLGKDSNNLCLHFNPRFNAHGDANTIVCNSKDGGAWGTEQREAVFPFQPGSVAEVCITFDQANLTVKLPDGYEFKFPNRLNLEAINYMAADGDFKIKCVAFD
Non polymer #2
YNO
InChI=1S/C18H16BrClN6O4S2/c1-29-16-14(26-5-10(24-25-26)17-23-13(20)7-31-17)15(28)11(6-27)30-18(16)32-12-2-8(19)4-22-9(12)3-21/h2,4-5,7,11,14-16,18,27-28H,6H2,1H3/t11-,14+,15+,16-,18-/m1/s1
InChI=1S/C18H16BrClN6O4S2/c1-29-16-14(26-5-10(24-25-26)17-23-13(20)7-31-17)15(28)11(6-27)30-18(16)32-12-2-8(19)4-22-9(12)3-21/h2,4-5,7,11,14-16,18,27-28H,6H2,1H3/t11-,14+,15+,16-,18-/m1/s1
SMILES: CO[C@@H]1[C@H]([C@H]([C@H](O[C@@H]1Sc2cc(cnc2C#N)Br)CO)O)n3cc(nn3)c4nc(cs4)Cl
CO[C@@H]1[C@H]([C@H]([C@H](O[C@@H]1Sc2cc(cnc2C#N)Br)CO)O)n3cc(nn3)c4nc(cs4)Cl
Biounit #1
homo-dimer
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Model
Reference
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