2024-12-14_00000345
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ligand
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9AX3
Structure of full-length amyloidogenic immunoglobulin light chain H9 in complex with 4-(3-ethyl-3-phenylpyrrolidin-1-yl)-1,6-dimethylpyridin-2(1H)-one;
X-ray diffraction 2.20Å
Protein #1
216 residues (100% resolved)
Raw Sequence ...
QSALTQPPSASGSPGQSVTISCTGTSSDVGGSDSVSWYQQHPGKAPKLIIYEVSQRPSGVPNRFSGSKSGNTASLTVSGLQAEDDADYYCSSYGGDNNLFFGGGTKVTVLGQPKAAPSVTLFPPSSEELQANKATLVCLISDFYPGAVTVAWKADSSPVKAGVETTTPSKQSNNKYAASSYLSLTPEQWKSHRSYSCQVTHEGSTVEKTVAPTECS
Canonical Sequence ...
QSALTQPPSASGSPGQSVTISCTGTSSDVGGSDSVSWYQQHPGKAPKLIIYEVSQRPSGVPNRFSGSKSGNTASLTVSGLQAEDDADYYCSSYGGDNNLFFGGGTKVTVLGQPKAAPSVTLFPPSSEELQANKATLVCLISDFYPGAVTVAWKADSSPVKAGVETTTPSKQSNNKYAASSYLSLTPEQWKSHRSYSCQVTHEGSTVEKTVAPTECS
Non polymer #2
A1AH1
InChI=1S/C19H24N2O/c1-4-19(16-8-6-5-7-9-16)10-11-21(14-19)17-12-15(2)20(3)18(22)13-17/h5-9,12-13H,4,10-11,14H2,1-3H3/t19-/m0/s1
InChI=1S/C19H24N2O/c1-4-19(16-8-6-5-7-9-16)10-11-21(14-19)17-12-15(2)20(3)18(22)13-17/h5-9,12-13H,4,10-11,14H2,1-3H3/t19-/m0/s1
SMILES: CC[C@@]1(CCN(C1)C2=CC(=O)N(C(=C2)C)C)c3ccccc3
CC[C@@]1(CCN(C1)C2=CC(=O)N(C(=C2)C)C)c3ccccc3
Non polymer #3
PO4
InChI=1S/H3O4P/c1-5(2,3)4/h(H3,1,2,3,4)/p-3
InChI=1S/H3O4P/c1-5(2,3)4/h(H3,1,2,3,4)/p-3
SMILES: [O-]P(=O)([O-])[O-]
[O-]P(=O)([O-])[O-]
Biounit #1
homo-dimer
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Biounit #2
homo-dimer
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Model
Reference
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