{"global_stoichiometry": "Homo 6-mer - A6 ", "ligstr": "ACY:A:C2 H4 O2:60.05:ACETIC ACID:CC(=O)O:InChI=1S/C2H4O2/c1-2(3)4/h1H3,(H,3,4):QTBSBXVTEAMEQO-UHFFFAOYSA-N;ORA:A:C16 H12 N2 O7 S2:408.41:7-hydroxy-8-[(E)-phenyldiazenyl]naphthalene-1,3-disulfonic acid:c1ccc(cc1)/N=N/c2c(ccc3c2c(cc(c3)S(=O)(=O)O)S(=O)(=O)O)O:InChI=1S/C16H12N2O7S2/c19-13-7-6-10-8-12(26(20,21)22)9-14(27(23,24)25)15(10)16(13)18-17-11-4-2-1-3-5-11/h1-9,19H,(H,20,21,22)(H,23,24,25)/b18-17+:MPVDXIMFBOLMNW-ISLYRVAYSA-N;ZN:A:Zn 2:65.41:ZINC ION:[Zn+2]:InChI=1S/Zn/q+2:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "uniprot_ac": "P10636", "inchi": "InChI=1S/C2H4O2/c1-2(3)4/h1H3,(H,3,4)%%InChI=1S/C16H12N2O7S2/c19-13-7-6-10-8-12(26(20,21)22)9-14(27(23,24)25)15(10)16(13)18-17-11-4-2-1-3-5-11/h1-9,19H,(H,20,21,22)(H,23,24,25)/b18-17+%%InChI=1S/Zn/q+2", "reference": "PLoS Biol. 2011 Jun;9(6):e1001080.", "author": "Landau, M., Sawaya, M.R., Faull, K.F., Laganowsky, A., Jiang, L., Sievers, S.A., Liu, J., Barrio, J.R., Eisenberg, D.", "type": "Fibril", "ligand_id": "ACY%%ORA%%ZN", "species": "Homo sapiens", "method": "X-RAY DIFFRACTION", "keyword": "Microtubule-associated protein", "gene_names": "", "chain_id": "A%%A%%A", "ligand_mw": "60.05%%408.41%%65.41", "inchi_key": "QTBSBXVTEAMEQO-UHFFFAOYSA-N%%MPVDXIMFBOLMNW-ISLYRVAYSA-N%%PTFCDOFLOPIGGS-UHFFFAOYSA-N", "secondary_structure": "VQIVYK#CCCCCC", "amyloid_non_amyloid": "Amyloid", "length": "6", "remarks": "Structure of an amyloid forming peptide VQIVYK from the TAU protein in complex with orange G", "protein_name": "Microtubule-associated protein tau", "peptide_protein_sequence": "chain-ID A: VQIVYK", "ligand_name": "ACETIC ACID%%7-hydroxy-8-[(E)-phenyldiazenyl]naphthalene-1,3-disulfonic acid%%ZINC ION", "ligand_smiles": "CC(=O)O%%c1ccc(cc1)/N=N/c2c(ccc3c2c(cc(c3)S(=O)(=O)O)S(=O)(=O)O)O%%[Zn+2]", "pdb_id": "3OVL", "ec_number": "", "pdb_classification": "PROTEIN FIBRIL", "mutation_s_field": "No", "ligand_formula": "C2 H4 O2%%C16 H12 N2 O7 S2%%Zn 2", "r_value_free": "0.259", "alternative_name": "", "description": "They present atomic structures of fiber-forming segments of proteins involved in Alzheimer's disease in complex with small molecule binders, determined by X-ray microcrystallography. The fiber-like complexes consist of pairs of Beta-sheets, with small molecules binding between the sheets, roughly parallel to the fiber axis. The structures suggest that apolar molecules drift along the fiber, consistent with the observation of nonspecific binding to a variety of amyloid proteins. ", "resolution": "1.81", "pmid": "21695112", "entry": "S-0282"}