2024-12-14_00000344
|
ligand
|
9AX2
Structure of full-length amyloidogenic immunoglobulin light chain H9 in complex with 2-(1-methyl-3-oxo-5-(2-phenylpropoxy)isoindolin-2-yl)ethyl (3-(1H-imidazol-4-yl)benzyl)carbamate;
X-ray diffraction 1.94Å
Protein #1
216 residues (99% resolved)
Raw Sequence ...
QSALTQPPSASGSPGQSVTISCTGTSSDVGGSDSVSWYQQHPGKAPKLIIYEVSQRPSGVPNRFSGSKSGNTASLTVSGLQAEDDADYYCSSYGGDNNLFFGGGTKVTVLGQPKAAPSVTLFPPSSEELQANKATLVCLISDFYPGAVTVAWKADSSPVKAGVETTTPSKQSNNKYAASSYLSLTPEQWKSHRSYSCQVTHEGSTVEKTVAPTECS
Canonical Sequence ...
QSALTQPPSASGSPGQSVTISCTGTSSDVGGSDSVSWYQQHPGKAPKLIIYEVSQRPSGVPNRFSGSKSGNTASLTVSGLQAEDDADYYCSSYGGDNNLFFGGGTKVTVLGQPKAAPSVTLFPPSSEELQANKATLVCLISDFYPGAVTVAWKADSSPVKAGVETTTPSKQSNNKYAASSYLSLTPEQWKSHRSYSCQVTHEGSTVEKTVAPTECS
Non polymer #2
A1AH6
InChI=1S/C31H32N4O4/c1-21(24-8-4-3-5-9-24)19-39-26-11-12-27-22(2)35(30(36)28(27)16-26)13-14-38-31(37)33-17-23-7-6-10-25(15-23)29-18-32-20-34-29/h3-12,15-16,18,20-22H,13-14,17,19H2,1-2H3,(H,32,34)(H,33,37)/t21-,22-/m1/s1
InChI=1S/C31H32N4O4/c1-21(24-8-4-3-5-9-24)19-39-26-11-12-27-22(2)35(30(36)28(27)16-26)13-14-38-31(37)33-17-23-7-6-10-25(15-23)29-18-32-20-34-29/h3-12,15-16,18,20-22H,13-14,17,19H2,1-2H3,(H,32,34)(H,33,37)/t21-,22-/m1/s1
SMILES: C[C@@H]1c2ccc(cc2C(=O)N1CCOC(=O)NCc3cccc(c3)c4c[nH]cn4)OC[C@H](C)c5ccccc5
C[C@@H]1c2ccc(cc2C(=O)N1CCOC(=O)NCc3cccc(c3)c4c[nH]cn4)OC[C@H](C)c5ccccc5
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
Download coordinates
Biounit #2
homo-dimer
Download coordinates
Tube
Model
Reference
100%