2026-05-30_00000158|ligand|9RAM

E-selectin complexed with glycomimetic ligand MZ2257; X-ray diffraction 2.60Å

Protein #1 280 residues (99% resolved)

Raw Sequence ...

WSYNTSTEAMTYDEASAYCQQRYTHLVAIQNKEEIEYLNSILSYSPSYYWIGIRKVNNVWVWVGTQKPLTEEAKNWAPGEPNNRQKDEDCVEIYIKREKDVGMWNDERCSKKKLALCYTAACTNTSCSGHGECVETINNYTCKCDPGFSGLKCEQIVNCTALESPEHGSLVCSHPLGNFSYNSSCSISCDRGYLPSSMETMQCMSSGEWSAPIPACNVVECDAVTNPANGFVECFQNPGSFPWNTTCTFDCEEGFELMGAQSLQCTSSGNWDNEKPTCKA

Canonical Sequence ...

Non polymer #2 A1JDU

InChI=1S/C24H40O13/c1-10-5-3-6-12(19(10)37-23-18(29)17(28)15(26)11(2)33-23)35-24-21-20(16(27)14(9-25)36-24)34-13(22(30)31)7-4-8-32-21/h10-21,23-29H,3-9H2,1-2H3,(H,30,31)/t10-,11-,12+,13+,14+,15+,16-,17+,18-,19+,20-,21+,23-,24+/m0/s1

InChI=1S/C24H40O13/c1-10-5-3-6-12(19(10)37-23-18(29)17(28)15(26)11(2)33-23)35-24-21-20(16(27)14(9-25)36-24)34-13(22(30)31)7-4-8-32-21/h10-21,23-29H,3-9H2,1-2H3,(H,30,31)/t10-,11-,12+,13+,14+,15+,16-,17+,18-,19+,20-,21+,23-,24+/m0/s1

SMILES: C[C@H]1CCC[C@H]([C@@H]1O[C@H]2[C@H]([C@@H]([C@@H]([C@@H](O2)C)O)O)O)O[C@H]3[C@H]4[C@H]([C@H]([C@H](O3)CO)O)O[C@H](CCCO4)C(=O)O

C[C@H]1CCC[C@H]([C@@H]1O[C@H]2[C@H]([C@@H]([C@@H]([C@@H](O2)C)O)O)O)O[C@H]3[C@H]4[C@H]([C@H]([C@H](O3)CO)O)O[C@H](CCCO4)C(=O)O

Non polymer #3 CA

InChI=1S/Ca/q+2

SMILES: [Ca+2]

[Ca+2]

Non polymer #4 NAG

InChI=1S/C8H15NO6/c1-3(11)9-5-7(13)6(12)4(2-10)15-8(5)14/h4-8,10,12-14H,2H2,1H3,(H,9,11)/t4-,5-,6-,7-,8-/m1/s1

SMILES: CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O

CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O

Biounit #1 monomer

Reference