2024-11-09_00000195|ligand|9EMS

Crystal Structure of DC-SIGN in complex with JXH1902; X-ray diffraction 2.90Å
Protein #1 159 residues (83% resolved)

GSHMERLCHPCPWEWTFFQGNCYFMSNSQRNWHDSITACKEVGAQLVVIKSAEEQNFLQLQSSRSNRFTWMGLSDLNQEGTWQWVDGSPLLPSFKQYWNRGEPNNVGEEDCAEFSGNGWNDDKCNLAKFWICKKSAASCSRDEEQFLSPAPATPNPPPA

GSHMERLCHPCPWEWTFFQGNCYFMSNSQRNWHDSITACKEVGAQLVVIKSAEEQNFLQLQSSRSNRFTWMGLSDLNQEGTWQWVDGSPLLPSFKQYWNRGEPNNVGEEDCAEFSGNGWNDDKCNLAKFWICKKSAASCSRDEEQFLSPAPATPNPPPA
Non polymer #2 A1H5X

InChI=1S/C17H24N4O6/c18-6-11(23)9-26-17-14(16(25)15(24)13(8-22)27-17)21-7-12(19-20-21)10-4-2-1-3-5-10/h1-5,7,11,13-17,22-25H,6,8-9,18H2/t11-,13+,14-,15+,16+,17-/m0/s1

c1ccc(cc1)c2cn(nn2)[C@H]3[C@H]([C@@H]([C@H](O[C@@H]3OC[C@H](CN)O)CO)O)O
Non polymer #3 CA

InChI=1S/Ca/q+2

[Ca+2]
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Reference