{"reference": "Nat Chem Biol. 2018 Sep;14(9):870-875.", "alternative_name": "", "entry": "S-0519", "gene_names": "", "remarks": "Cross-alpha Amyloid-like Structure alphaTet", "secondary_structure": "XSKLEELRRKLQEAEHKARELQEKWGX#CCHHHHHHHHHHHHHHHHHHHHHHHCC&XSKLEELRRKLQEAEHKARELQEKWGX#CCHHHHHHHHHHHHHHHHHHHHHHHCC&XSKLEELRRKLQEAEHKARELQEKWGX#CCHHHHHHHHHHHHHHHHHHHHHHHCC&XSKLEELRRKLQEAEHKARELQEKWGX#CCHHHHHHHHHHHHHHHHHHHHHHHCC", "chain_id": "A%%A%%B%%B%%B%%C%%C%%D%%D", "inchi": "InChI=1S/C2H4O/c1-2-3/h2H,1H3%%InChI=1/H3N/h1H3%%InChI=1S/C2H4O/c1-2-3/h2H,1H3%%InChI=1S/C3H8O3/c4-1-3(6)2-5/h3-6H,1-2H2%%InChI=1/H3N/h1H3%%InChI=1S/C2H4O/c1-2-3/h2H,1H3%%InChI=1/H3N/h1H3%%InChI=1S/C2H4O/c1-2-3/h2H,1H3%%InChI=1/H3N/h1H3", "amyloid_non_amyloid": "Amyloid", "pmid": "30061717", "ligand_smiles": "CC=O%%[NH2]%%CC=O%%C(C(CO)O)O%%[NH2]%%CC=O%%[NH2]%%CC=O%%[NH2]", "keyword": "Cross-alpha Amyloid-like Structure alphaTet", "peptide_protein_sequence": "chain-ID A: XSKLEELRRKLQEAEHKARELQEKWGX; chain-ID B: XSKLEELRRKLQEAEHKARELQEKWGX; chain-ID C: XSKLEELRRKLQEAEHKARELQEKWGX; chain-ID D: XSKLEELRRKLQEAEHKARELQEKWGX", "uniprot_ac": "", "protein_name": "synthetic construct", "r_value_free": "0.222", "mutation_s_field": "No", "ligand_mw": "44.05%%16.02%%44.05%%92.09%%16.02%%44.05%%16.02%%44.05%%16.02", "pdb_id": "6C52", "inchi_key": "IKHGUXGNUITLKF-UHFFFAOYSA-N%%QGZKDVFQNNGYKY-UHFFFAOYAF%%IKHGUXGNUITLKF-UHFFFAOYSA-N%%PEDCQBHIVMGVHV-UHFFFAOYSA-N%%QGZKDVFQNNGYKY-UHFFFAOYAF%%IKHGUXGNUITLKF-UHFFFAOYSA-N%%QGZKDVFQNNGYKY-UHFFFAOYAF%%IKHGUXGNUITLKF-UHFFFAOYSA-N%%QGZKDVFQNNGYKY-UHFFFAOYAF", "ec_number": "", "pdb_classification": "DE NOVO PROTEIN", "type": "Fibril", "author": "Zhang, S.Q., Huang, H., Yang, J., Kratochvil, H.T., Lolicato, M., Liu, Y., Shu, X., Liu, L., DeGrado, W.F.", "species": "synthetic construct", "ligand_id": "ACE%%NH2%%ACE%%GOL%%NH2%%ACE%%NH2%%ACE%%NH2", "method": "X-RAY DIFFRACTION", "ligand_name": "ACETYL GROUP%%AMINO GROUP%%ACETYL GROUP%%GLYCEROL%%AMINO GROUP%%ACETYL GROUP%%AMINO GROUP%%ACETYL GROUP%%AMINO GROUP", "global_stoichiometry": "omo 2-mer - A2 ", "resolution": "1.6", "ligand_formula": "C2 H4 O%%H2 N%%C2 H4 O%%C3 H8 O3%%H2 N%%C2 H4 O%%H2 N%%C2 H4 O%%H2 N", "length": "27", "ligstr": "ACE:A:C2 H4 O:44.05:ACETYL GROUP:CC=O:InChI=1S/C2H4O/c1-2-3/h2H,1H3:IKHGUXGNUITLKF-UHFFFAOYSA-N;NH2:A:H2 N:16.02:AMINO GROUP:[NH2]:InChI=1/H3N/h1H3:QGZKDVFQNNGYKY-UHFFFAOYAF;ACE:B:C2 H4 O:44.05:ACETYL GROUP:CC=O:InChI=1S/C2H4O/c1-2-3/h2H,1H3:IKHGUXGNUITLKF-UHFFFAOYSA-N;GOL:B:C3 H8 O3:92.09:GLYCEROL:C(C(CO)O)O:InChI=1S/C3H8O3/c4-1-3(6)2-5/h3-6H,1-2H2:PEDCQBHIVMGVHV-UHFFFAOYSA-N;NH2:B:H2 N:16.02:AMINO GROUP:[NH2]:InChI=1/H3N/h1H3:QGZKDVFQNNGYKY-UHFFFAOYAF;ACE:C:C2 H4 O:44.05:ACETYL GROUP:CC=O:InChI=1S/C2H4O/c1-2-3/h2H,1H3:IKHGUXGNUITLKF-UHFFFAOYSA-N;NH2:C:H2 N:16.02:AMINO GROUP:[NH2]:InChI=1/H3N/h1H3:QGZKDVFQNNGYKY-UHFFFAOYAF;ACE:D:C2 H4 O:44.05:ACETYL GROUP:CC=O:InChI=1S/C2H4O/c1-2-3/h2H,1H3:IKHGUXGNUITLKF-UHFFFAOYSA-N;NH2:D:H2 N:16.02:AMINO GROUP:[NH2]:InChI=1/H3N/h1H3:QGZKDVFQNNGYKY-UHFFFAOYAF", "description": "They crystallographically characterize designed peptides that assemble into spiraling cross-Alpha amyloid-like structures, which resemble twisted Beta-amyloid fibrils. The peptides form helical dimers, stabilized by packing of small and apolar residues, and the dimers further assemble into cross-Alpha amyloid-like fibrils with superhelical pitches ranging from 170?A to 200?A. When a small residue that appeared critical for packing was converted to leucine, it resulted in structural rearrangement to a helical polymer. all of the AlphaAm peptides showed time-dependent increases in the fluorescence intensity of ThT, with no apparent lag time in the kinetic traces"}