{"entry": "S-0006", "ligand_formula": "C5 H11 N O3 S", "peptide_protein_sequence": "chain-ID A: DAEFRHDSGYEVHHQKLVFFAEDVGSNKGAIIGLMVGGVV", "remarks": "SOLUTION STRUCTURE OF THE METHIONINE-OXIDIZED AMYLOID BETA-PEPTIDE (1-40)", "pmid": "9737846", "chain_id": "A", "mutation_s_field": "No", "ligstr": "SME:A:C5 H11 N O3 S:165.21:METHIONINE SULFOXIDE:C[S@@](=O)CC[C@@H](C(=O)O)N:InChI=1S/C5H11NO3S/c1-10(9)3-2-4(6)5(7)8/h4H,2-3,6H2,1H3,(H,7,8)/t4-,10+/m0/s1:QEFRNWWLZKMPFJ-ZXPFJRLXSA-N", "r_value_free": "", "uniprot_ac": "P05067", "resolution": "", "pdb_id": "1BA6", "protein_name": "Amyloid-beta A4 protein", "gene_names": "APP, A4, AD1", "species": "Homo sapiens", "method": "SOLUTION NMR", "author": "Watson, A.A., Fairlie, D.P., Craik, D.J.", "type": "Peptide", "ligand_mw": "165.21", "secondary_structure": "DAEFRHDSGYEVHHQKLVFFAEDVGSNKGAIIGLMVGGVV#CCCCCCCSSSSCSCHHHHHHHHHHHTCSTTTTTSCSSCCC", "description": "The solution structure of ABeta(1-40)Met(O), the methionine-oxidized form of ABeta(1-40), has been investigated. Oxidation of Met35 may have implications in the aetiology of Alzheimer's disease. Experiments strongly suggest the presence of a helical region between residues 16 and 24 in ABeta(1-40)Met(O). Oxidation of Met35 causes a local and selective disruption of helix 2. In addition to this helix-coil rearrangement in aqueous micelles, the CD data show that oxidation inhibits a coil-to-Beta-sheet transition in water.", "ec_number": "", "global_stoichiometry": "Monomer - A ", "ligand_name": "METHIONINE SULFOXIDE", "ligand_id": "SME", "pdb_classification": "GLYCOPROTEIN", "length": "40", "keyword": "AMYLOID BETA-PEPTIDE", "amyloid_non_amyloid": "Amyloid", "inchi": "InChI=1S/C5H11NO3S/c1-10(9)3-2-4(6)5(7)8/h4H,2-3,6H2,1H3,(H,7,8)/t4-,10+/m0/s1", "reference": "Biochemistry. 1998 Sep 15;37(37):12700-6", "alternative_name": "ABPP, APPI, Alzheimer disease amyloid protein, Amyloid precursor protein, Amyloid-beta precursor protein, Cerebral vascular amyloid peptide, PreA4, Protease nexin-II", "ligand_smiles": "C[S@@](=O)CC[C@@H](C(=O)O)N", "inchi_key": "QEFRNWWLZKMPFJ-ZXPFJRLXSA-N"}