{"global_stoichiometry": "Homo 8-mer - A8", "ligstr": "IPA:D:C3 H8 O:60.1:ISOPROPYL ALCOHOL:CC(C)O:InChI=1S/C3H8O/c1-3(2)4/h3-4H,1-2H3:KFZMGEQAYNKOFK-UHFFFAOYSA-N", "uniprot_ac": "", "inchi": "InChI=1S/C3H8O/c1-3(2)4/h3-4H,1-2H3", "reference": "Protein Sci. 2018 Jul;27(7):1181-1190.", "author": "Do, T.D., Sangwan, S., de Almeida, N.E.C., Ilitchev, A.I., Giammona, M., Sawaya, M.R., Buratto, S.K., Eisenberg, D.S., Bowers, M.T.", "type": "Fibril", "ligand_id": "IPA", "species": "Homo sapiens", "method": "X-RAY DIFFRACTION", "keyword": "IFAEDV", "gene_names": "", "chain_id": "D", "ligand_mw": "60.1", "inchi_key": "KFZMGEQAYNKOFK-UHFFFAOYSA-N", "secondary_structure": "IFAEDV#CCCCCC&IFAEDV#CEEEEC&IFAEDV#CEEEEC&IFAEDV#CCCCCC", "amyloid_non_amyloid": "Amyloid", "length": "6", "remarks": "Polymorphic form 2 of amyloid-beta derived peptide - IFAEDV", "protein_name": "Amyloid-beta", "peptide_protein_sequence": "chain-ID A: IFAEDV; chain-ID B: IFAEDV; chain-ID C: IFAEDV; chain-ID D: IFAEDV", "ligand_name": "ISOPROPYL ALCOHOL", "ligand_smiles": "CC(C)O", "pdb_id": "5TXH", "ec_number": "", "pdb_classification": "DE NOVO PROTEIN", "mutation_s_field": "No", "ligand_formula": "C3 H8 O", "r_value_free": "0.138", "alternative_name": "", "description": "They characterize two segments of the protein amyloid Beta (ABeta) known to form fibrils in Alzheimer's disease patients. We designed two variants of ABeta(19-24) and ABeta(27-32), IFAEDV (I6V) and NKGAIF (N6F) to lower the aggregation propensity of individual peptides while maintaining the similar interactions between the two segments in their native forms. They found that the variants do not form significant amyloid fibrils individually but a 1:1 mixture forms abundant fibrils. Hetero-oligomers up to decamers were found in the mixture while the individual peptides formed primarily dimers and some tetramers consistent with a strong heterotypic interaction between the two segments.", "resolution": "1.45", "pmid": "29349888", "entry": "S-0466"}