2024-11-09_00000193|ligand|9EMQ

Crystal Structure of DC-SIGN in complex with AL86; X-ray diffraction 1.80Å
Protein #1 159 residues (83% resolved)

GSHMERLCHPCPWEWTFFQGNCYFMSNSQRNWHDSITACKEVGAQLVVIKSAEEQNFLQLQSSRSNRFTWMGLSDLNQEGTWQWVDGSPLLPSFKQYWNRGEPNNVGEEDCAEFSGNGWNDDKCNLAKFWICKKSAASCSRDEEQFLSPAPATPNPPPA

GSHMERLCHPCPWEWTFFQGNCYFMSNSQRNWHDSITACKEVGAQLVVIKSAEEQNFLQLQSSRSNRFTWMGLSDLNQEGTWQWVDGSPLLPSFKQYWNRGEPNNVGEEDCAEFSGNGWNDDKCNLAKFWICKKSAASCSRDEEQFLSPAPATPNPPPA
Non polymer #2 A1H5Z

InChI=1S/C20H28N4O5/c25-11-16-18(26)19(27)17(20(29-16)28-12-13-5-4-8-21-9-13)24-10-15(22-23-24)14-6-2-1-3-7-14/h1-3,6-7,10,13,16-21,25-27H,4-5,8-9,11-12H2/t13-,16+,17-,18+,19+,20-/m0/s1

c1ccc(cc1)c2cn(nn2)[C@H]3[C@H]([C@@H]([C@H](O[C@@H]3OC[C@H]4CCCNC4)CO)O)O
Non polymer #3 CA

InChI=1S/Ca/q+2

[Ca+2]
Download coordinates
Reference