2024-12-14_00000342|ligand|9AWY

Structure of full-length amyloidogenic immunoglobulin light chain H9 in complex with 3-(2-(4-(3-ethyl-3-phenylpyrrolidin-1-yl)-6-methyl-2-oxopyridin-1(2H)-yl)ethyl)-8-(imidazo[1,5-a]pyrazin-8-yl)-1,3,8-triazaspiro[4.5]decan-2-one; X-ray diffraction 1.70Å
Protein #1 216 residues (99% resolved)

QSALTQPPSASGSPGQSVTISCTGTSSDVGGSDSVSWYQQHPGKAPKLIIYEVSQRPSGVPNRFSGSKSGNTASLTVSGLQAEDDADYYCSSYGGDNNLFFGGGTKVTVLGQPKAAPSVTLFPPSSEELQANKATLVCLISDFYPGAVTVAWKADSSPVKAGVETTTPSKQSNNKYAASSYLSLTPEQWKSHRSYSCQVTHEGSTVEKTVAPTECS

QSALTQPPSASGSPGQSVTISCTGTSSDVGGSDSVSWYQQHPGKAPKLIIYEVSQRPSGVPNRFSGSKSGNTASLTVSGLQAEDDADYYCSSYGGDNNLFFGGGTKVTVLGQPKAAPSVTLFPPSSEELQANKATLVCLISDFYPGAVTVAWKADSSPVKAGVETTTPSKQSNNKYAASSYLSLTPEQWKSHRSYSCQVTHEGSTVEKTVAPTECS
Non polymer #2 A1AH0

InChI=1S/C33H40N8O2/c1-3-32(26-7-5-4-6-8-26)9-13-38(22-32)27-19-25(2)41(29(42)20-27)18-17-39-23-33(36-31(39)43)10-14-37(15-11-33)30-28-21-34-24-40(28)16-12-35-30/h4-8,12,16,19-21,24H,3,9-11,13-15,17-18,22-23H2,1-2H3,(H,36,43)/t32-/m0/s1

CC[C@@]1(CCN(C1)C2=CC(=O)N(C(=C2)C)CCN3CC4(CCN(CC4)c5c6cncn6ccn5)NC3=O)c7ccccc7
Non polymer #3 PO4

InChI=1S/H3O4P/c1-5(2,3)4/h(H3,1,2,3,4)/p-3

[O-]P(=O)([O-])[O-]
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Reference