2024-11-09_00000194
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ligand
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9EMR
Crystal Structure of DC-SIGN in complex with AL90;
X-ray diffraction 1.90Å
Protein #1
159 residues (83% resolved)
Raw Sequence ...
GSHMERLCHPCPWEWTFFQGNCYFMSNSQRNWHDSITACKEVGAQLVVIKSAEEQNFLQLQSSRSNRFTWMGLSDLNQEGTWQWVDGSPLLPSFKQYWNRGEPNNVGEEDCAEFSGNGWNDDKCNLAKFWICKKSAASCSRDEEQFLSPAPATPNPPPA
Canonical Sequence ...
GSHMERLCHPCPWEWTFFQGNCYFMSNSQRNWHDSITACKEVGAQLVVIKSAEEQNFLQLQSSRSNRFTWMGLSDLNQEGTWQWVDGSPLLPSFKQYWNRGEPNNVGEEDCAEFSGNGWNDDKCNLAKFWICKKSAASCSRDEEQFLSPAPATPNPPPA
Non polymer #2
A1H5Y
InChI=1S/C17H23N3O7/c21-7-11(23)9-26-17-14(16(25)15(24)13(8-22)27-17)20-6-12(18-19-20)10-4-2-1-3-5-10/h1-6,11,13-17,21-25H,7-9H2/t11-,13+,14-,15+,16+,17-/m0/s1
InChI=1S/C17H23N3O7/c21-7-11(23)9-26-17-14(16(25)15(24)13(8-22)27-17)20-6-12(18-19-20)10-4-2-1-3-5-10/h1-6,11,13-17,21-25H,7-9H2/t11-,13+,14-,15+,16+,17-/m0/s1
SMILES: c1ccc(cc1)c2cn(nn2)[C@H]3[C@H]([C@@H]([C@H](O[C@@H]3OC[C@H](CO)O)CO)O)O
c1ccc(cc1)c2cn(nn2)[C@H]3[C@H]([C@@H]([C@H](O[C@@H]3OC[C@H](CO)O)CO)O)O
Non polymer #3
CA
InChI=1S/Ca/q+2
InChI=1S/Ca/q+2
SMILES: [Ca+2]
[Ca+2]
Biounit #1
monomer
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Biounit #2
monomer
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Biounit #3
monomer
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