{"method": "SOLID-STATE NMR", "mutation_s_field": "No", "ec_number": "", "description": "The atomic model of an ABeta(1-42) amyloid fibril, from solid-state NMR (ssNMR) data. It displays triple parallel-Beta-sheet segments that differ from reported structures of ABeta(1-40) fibrils. Remarkably, ABeta(1-40) is incompatible with the triple-Beta-motif, because seeding with ABeta(1-42) fibrils does not promote conversion of monomeric ABeta(1-40) into fibrils via cross-replication. ssNMR experiments suggest that C-terminal Ala42, absent in ABeta(1-40), forms a salt bridge with Lys28 to create a self-recognition molecular switch that excludes ABeta(1-40). The results provide insight into the ABeta(1-42)-selective self-replicating amyloid-propagation machinery in early-stage Alzheimer's disease.", "ligstr": "", "pmid": "25938662", "remarks": "42-Residue Beta Amyloid Fibril", "amyloid_non_amyloid": "Amyloid", "type": "Fibril", "inchi": "", "resolution": "", "species": "Homo sapiens", "secondary_structure": "DAEFRHDSGYEVHHQKLVFFAEDVGSNKGAIIGLMVGGVVIA#CCCCCCCCCCCEEEEEEECCCSCEEEEEEEEESCCEEEEEEC&DAEFRHDSGYEVHHQKLVFFAEDVGSNKGAIIGLMVGGVVIA#CCCCCCCCCCCEEEEEEECSCSCEEEEEEEEESCCEEEEEEC&DAEFRHDSGYEVHHQKLVFFAEDVGSNKGAIIGLMVGGVVIA#CCCCCCCCCCCEEEEEEECSCSCEEEEEEEEESCCEEEEEEC&DAEFRHDSGYEVHHQKLVFFAEDVGSNKGAIIGLMVGGVVIA#CCCCCCCCCCCEEEEEEECSCSCEEEEEEEEEECCEEEEEEC&DAEFRHDSGYEVHHQKLVFFAEDVGSNKGAIIGLMVGGVVIA#CCCCCCCCCCCEEEEEEECSCSCEEEEEEEEEECCEEEEEEC&DAEFRHDSGYEVHHQKLVFFAEDVGSNKGAIIGLMVGGVVIA#CCCCCCCCCCCEEEEEEECSCSCEEEEEEEEEECCEEEEEEC&DAEFRHDSGYEVHHQKLVFFAEDVGSNKGAIIGLMVGGVVIA#CCCCCCCCCCCEEEEEEECSCSCEEEEEEEEEECCEEEEEEC&DAEFRHDSGYEVHHQKLVFFAEDVGSNKGAIIGLMVGGVVIA#CCCCCCCCCCCEEEEEEECSCSCEEEEEEEEEECCEEEEEEC&DAEFRHDSGYEVHHQKLVFFAEDVGSNKGAIIGLMVGGVVIA#CCCCCCCCCCCEEEEEEECSCSCEEEEEEEEEECCEEEEEEC&DAEFRHDSGYEVHHQKLVFFAEDVGSNKGAIIGLMVGGVVIA#CCCCCCCCCCCEEEEEEECSCSCEEEEEEEEEECCEEEEEEC&DAEFRHDSGYEVHHQKLVFFAEDVGSNKGAIIGLMVGGVVIA#CCCCCCCCCCCEEEEEEECSCSCEEEEEEEEEECCEEEEEEC&DAEFRHDSGYEVHHQKLVFFAEDVGSNKGAIIGLMVGGVVIA#CCCCCCCCCCCEEEEEEECCCSCBSCEESCEEECCEECCCBC", "chain_id": "", "gene_names": "APP, A4, AD1", "r_value_free": "", "pdb_id": "2MXU", "reference": "Nat Struct Mol Biol. 2015 Jun;22(6):499-505.", "keyword": "Amyloid beta A4 protein", "protein_name": "Amyloid-beta A4 protein", "ligand_formula": "", "peptide_protein_sequence": "chain-ID A: DAEFRHDSGYEVHHQKLVFFAEDVGSNKGAIIGLMVGGVVIA; chain-ID B: DAEFRHDSGYEVHHQKLVFFAEDVGSNKGAIIGLMVGGVVIA; chain-ID C: DAEFRHDSGYEVHHQKLVFFAEDVGSNKGAIIGLMVGGVVIA; chain-ID D: DAEFRHDSGYEVHHQKLVFFAEDVGSNKGAIIGLMVGGVVIA; chain-ID E: DAEFRHDSGYEVHHQKLVFFAEDVGSNKGAIIGLMVGGVVIA; chain-ID F: DAEFRHDSGYEVHHQKLVFFAEDVGSNKGAIIGLMVGGVVIA; chain-ID G: DAEFRHDSGYEVHHQKLVFFAEDVGSNKGAIIGLMVGGVVIA; chain-ID H: DAEFRHDSGYEVHHQKLVFFAEDVGSNKGAIIGLMVGGVVIA; chain-ID I: DAEFRHDSGYEVHHQKLVFFAEDVGSNKGAIIGLMVGGVVIA; chain-ID J: DAEFRHDSGYEVHHQKLVFFAEDVGSNKGAIIGLMVGGVVIA; chain-ID K: DAEFRHDSGYEVHHQKLVFFAEDVGSNKGAIIGLMVGGVVIA; chain-ID L: DAEFRHDSGYEVHHQKLVFFAEDVGSNKGAIIGLMVGGVVIA", "entry": "S-0144", "length": "42", "uniprot_ac": "P05067", "author": "Xiao, Y., Ma, B., McElheny, D., Parthasarathy, S., Long, F., Hoshi, M., Nussinov, R., Ishii, Y.", "ligand_smiles": "", "ligand_mw": "", "alternative_name": "ABPP, APPI, Alzheimer disease amyloid protein, Amyloid precursor protein, Amyloid-beta precursor protein, Cerebral vascular amyloid peptide, PreA4, Protease nexin-II", "ligand_name": "", "pdb_classification": "PROTEIN FIBRIL", "global_stoichiometry": "Homo 12-mer - A12 ", "inchi_key": "", "ligand_id": ""}