{"global_stoichiometry": "Homo 2-mer - A2 ", "ligstr": "nan:A:Na 1:22.99:SODIUM ION:[Na+]:InChI=1S/Na/q+1:FKNQFGJONOIPTF-UHFFFAOYSA-N;PCA:A:C5 H7 N O3:129.11:PYROGLUTAMIC ACID:C1CC(=O)N[C@@H]1C(=O)O:InChI=1S/C5H7NO3/c7-4-2-1-3(6-4)5(8)9/h3H,1-2H2,(H,6,7)(H,8,9)/t3-/m0/s1:ODHCTXKNWHHXJC-VKHMYHEASA-N", "uniprot_ac": "", "inchi": "InChI=1S/Na/q+1%%InChI=1S/C5H7NO3/c7-4-2-1-3(6-4)5(8)9/h3H,1-2H2,(H,6,7)(H,8,9)/t3-/m0/s1", "reference": "Sci Rep. 2017 Dec 1;7(1):16809.", "author": "Oberti, L., Rognoni, P., Barbiroli, A., Lavatelli, F., Russo, R., Maritan, M., Palladini, G., Bolognesi, M., Merlini, G., Ricagno, S.", "type": "Protein", "ligand_id": "nan%%PCA", "species": "", "method": "X-RAY DIFFRACTION", "keyword": "", "gene_names": "", "chain_id": "A%%A", "ligand_mw": "22.99%%129.11", "inchi_key": "FKNQFGJONOIPTF-UHFFFAOYSA-N%%ODHCTXKNWHHXJC-VKHMYHEASA-N", "secondary_structure": "ESALTQPASVSGSPGQSITISCTGTSSDVGAYNLVSWYQQHPGKTPKLLIYEVSKRPSGVSNRFSGSKSGNTASLTISGLQPEDEADYYCCSNAGSYTHVFGTGTKVTVLVQPKANPTVTLFPPSSEELQANKATLVCLISDFYPGAVTVAWKADGSPVKAGVETTKPSKQSNNKYAASSYLSLTPEQWKSHRSYSCQVTHEGSTVEKTVAPTECS#CCCBBCCSEEEECTTCCEEEEEECCTTTTTTCSCEEEEEECTTSCCEEEEBTTTBCCTTSCTTEEEEEETTEEEEEECSCCGGGCEEEEEEEESSSSCEEEBCCEEEEECCCCCBCCEEEEECCCHHHHHTTCCCEEEEEEEEBSSCCEEEEEETTEEECTTEEECCCEECTTSCEEEEEEECCCHHHHHTCSCEEEEEECSSCEEEEEECCCCCC&QSALTQPASVSGSPGQSITISCTGTSSDVGAYNLVSWYQQHPGKTPKLLIYEVSKRPSGVSNRFSGSKSGNTASLTISGLQPEDEADYYCCSNAGSYTHVFGTGTKVTVLVQPKANPTVTLFPPSSEELQANKATLVCLISDFYPGAVTVAWKADGSPVKAGVETTKPSKQSNNKYAASSYLSLTPEQWKSHRSYSCQVTHEGSTVEKTVAPTECS#CCCBBCCSEEEECTTCCEEEEEECCTTTTTTCSCEEEEEECTTSCCEEEEBTTTBCCTTCCTTEEEEEETTEEEEEECSCCGGGCSEEEEEEESSSSCEEEBCCEEEEECCSCCBCCEEEEECCCHHHHHTTCCCEEEEEEEEBSSCCEEEEEETTEEECTTEEECCCEECTTSSEEEEEEECCCHHHHHHSSCEEEEEEETTEEEEEEECCCCCC", "amyloid_non_amyloid": "Non-amyloid", "length": "216", "remarks": "Crystal structure of non-cardiotoxic Bence-Jones light chain dimer M8", "protein_name": "Bence-Jones light chain dimer M8", "peptide_protein_sequence": "chain-ID A: ESALTQPASVSGSPGQSITISCTGTSSDVGAYNLVSWYQQHPGKTPKLLIYEVSKRPSGVSNRFSGSKSGNTASLTISGLQPEDEADYYCCSNAGSYTHVFGTGTKVTVLVQPKANPTVTLFPPSSEELQANKATLVCLISDFYPGAVTVAWKADGSPVKAGVETTKPSKQSNNKYAASSYLSLTPEQWKSHRSYSCQVTHEGSTVEKTVAPTECS; chain-ID B: QSALTQPASVSGSPGQSITISCTGTSSDVGAYNLVSWYQQHPGKTPKLLIYEVSKRPSGVSNRFSGSKSGNTASLTISGLQPEDEADYYCCSNAGSYTHVFGTGTKVTVLVQPKANPTVTLFPPSSEELQANKATLVCLISDFYPGAVTVAWKADGSPVKAGVETTKPSKQSNNKYAASSYLSLTPEQWKSHRSYSCQVTHEGSTVEKTVAPTECS", "ligand_name": "SODIUM ION%%PYROGLUTAMIC ACID", "ligand_smiles": "[Na+]%%C1CC(=O)N[C@@H]1C(=O)O", "pdb_id": "5M6I", "ec_number": "", "pdb_classification": "IMMUNE SYSTEM", "mutation_s_field": "No", "ligand_formula": "Na 1%%C5 H7 N O3", "r_value_free": "0.22699999", "alternative_name": "", "description": "Eight amyloidogenic LCs were selected as responsible for severe cardiac symptoms in patients; five non-amyloidogenic LCs were isolated from patients affected by multiple myeloma. They showed that low fold stability and high protein dynamics correlate with amyloidogenic LCs, while hydrophobicity, structural rearrangements and nature of the LC dimeric association interface do not appear to play a significant role in defining amyloid propensity.", "resolution": "2.2", "pmid": "29196671", "entry": "S-0445"}