{"method": "SOLID-STATE NMR", "mutation_s_field": "No", "ec_number": "", "description": "They present an atomic resolution structure of a monomorphic form of ABetaM01-42 amyloid fibrils. The structure shows that the fibril core consists of a dimer of ABeta42 molecules, each containing four Beta-strands in a S-shaped amyloid fold, and arranged in a manner that generates two hydrophobic cores that are capped at the end of the chain by a salt bridge. The outer surface of the monomers presents hydrophilic side chains to the solvent. The interface between the monomers of the dimer shows clear contacts between M35 of one molecule and L17 and Q15 of the second. Intermolecular (13)C-(15)N constraints demonstrate that the amyloid fibrils are parallel in register. ", "ligstr": "", "pmid": "27355699", "remarks": "Atomic Resolution Structure of Monomorphic AB42 Amyloid Fibrils", "amyloid_non_amyloid": "Amyloid", "type": "Fibril", "inchi": "", "resolution": "", "species": "Homo sapiens", "secondary_structure": "DAEFRHDSGYEVHHQKLVFFAEDVGSNKGAIIGLMVGGVVIA#CCCCCCCCCCCCCCEEECCCCSSEEEEEEEEECSEEEEEEEC&DAEFRHDSGYEVHHQKLVFFAEDVGSNKGAIIGLMVGGVVIA#CCCCCCCCCCCCSSEEEEESCSCEEEEEEEEECSEEEEEEEC&DAEFRHDSGYEVHHQKLVFFAEDVGSNKGAIIGLMVGGVVIA#CCCCCCCCCCCCCSEEEEESCSCEEEEEEEEECSBCCCEEEC&DAEFRHDSGYEVHHQKLVFFAEDVGSNKGAIIGLMVGGVVIA#CCCCCCCCCCCCCCEEEEESCSCEEEEEEEEECSBCCCEEEC&DAEFRHDSGYEVHHQKLVFFAEDVGSNKGAIIGLMVGGVVIA#CCCCCCCCCCCCCSEEEEESCSCEEEEEEEEECTBCCSEEEC&DAEFRHDSGYEVHHQKLVFFAEDVGSNKGAIIGLMVGGVVIA#CCCCCCCCCCCCSCEEEEESCSCEEEEEEEEECTEEEEEEEC&DAEFRHDSGYEVHHQKLVFFAEDVGSNKGAIIGLMVGGVVIA#CCCCCCCCCCCCCCEEEEESCSCEEEEEEEEECSEEEEEEEC&DAEFRHDSGYEVHHQKLVFFAEDVGSNKGAIIGLMVGGVVIA#CCCCCCCCCCCCCCEEEEECCSCEEEEEEEEECSEEEEEEEC&DAEFRHDSGYEVHHQKLVFFAEDVGSNKGAIIGLMVGGVVIA#CCCCCCCCCCCCSSEEEEECCSCEEEEEEEEECSEEEEEEEC&DAEFRHDSGYEVHHQKLVFFAEDVGSNKGAIIGLMVGGVVIA#CCCCCCCCCCCCSSEEEECCCSCCEEEEEEEECSEEEEEEEC&DAEFRHDSGYEVHHQKLVFFAEDVGSNKGAIIGLMVGGVVIA#CCCCCCCCCCCCCCEEEECCCSCCEEEEEEEECTEEEEEEEC&DAEFRHDSGYEVHHQKLVFFAEDVGSNKGAIIGLMVGGVVIA#CCCCCCCCCCCCCCEEEESCCSCCEEEEEEEECTBCEEEEEC&DAEFRHDSGYEVHHQKLVFFAEDVGSNKGAIIGLMVGGVVIA#CCCCCCCCCCCCCSEEEECCCSCCEEEEEEEECSBCCCEEEC&DAEFRHDSGYEVHHQKLVFFAEDVGSNKGAIIGLMVGGVVIA#CCCCCCCCCCCCCSEEEESCCSCCEEEEEEEECSSCCCEEEC&DAEFRHDSGYEVHHQKLVFFAEDVGSNKGAIIGLMVGGVVIA#CCCCCCCCCCCCCCEEEESCCSSCEEEEEEEECSEEEEEEEC&DAEFRHDSGYEVHHQKLVFFAEDVGSNKGAIIGLMVGGVVIA#CCCCCCCCCCCCCCEEEECCCSCCEEEEEEEECSEEEEEEEC&DAEFRHDSGYEVHHQKLVFFAEDVGSNKGAIIGLMVGGVVIA#CCCCCCCCCCCCCCEEEESCCSCCEEEEEEEECSEEEEEEEC&DAEFRHDSGYEVHHQKLVFFAEDVGSNKGAIIGLMVGGVVIA#CCCCCCCCCCCCSCEEEESCCSCCEEEEEEEECSBCCSEEEC", "chain_id": "", "gene_names": "APP, A4, AD1", "r_value_free": "", "pdb_id": "5KK3", "reference": "J Am Chem Soc. 2016 Aug 3;138(30):9663-74.", "keyword": "Beta-amyloid protein 42", "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; chain-ID M: DAEFRHDSGYEVHHQKLVFFAEDVGSNKGAIIGLMVGGVVIA; chain-ID N: DAEFRHDSGYEVHHQKLVFFAEDVGSNKGAIIGLMVGGVVIA; chain-ID O: DAEFRHDSGYEVHHQKLVFFAEDVGSNKGAIIGLMVGGVVIA; chain-ID P: DAEFRHDSGYEVHHQKLVFFAEDVGSNKGAIIGLMVGGVVIA; chain-ID Q: DAEFRHDSGYEVHHQKLVFFAEDVGSNKGAIIGLMVGGVVIA; chain-ID R: DAEFRHDSGYEVHHQKLVFFAEDVGSNKGAIIGLMVGGVVIA", "entry": "S-0438", "length": "42", "uniprot_ac": "P05067", "author": "Colvin, M.T., Silvers, R., Ni, Q.Z., Can, T.V., Sergeyev, I., Rosay, M., Donovan, K.J., Michael, B., Wall, J., Linse, S., Griffin, R.G.", "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 18-mer - A18 ", "inchi_key": "", "ligand_id": ""}