{"resolution": "3.55", "ligand_mw": "44.05%%16.02%%44.05%%118.17%%16.02%%44.05%%16.02%%44.05%%16.02%%44.05%%16.02%%44.05%%16.02%%44.05%%16.02%%44.05%%16.02%%65.41", "secondary_structure": "XSKLLLLLIILSEALHLAILLLIKWGX#CCHHHHHHHHHHHHHHHHHHHHHHCCC&XSKLLLLLIILSEALHLAILLLIKWGX#CCHHHHHHHHHHHHHHHHHHHHHHCCC&XSKLLLLLIILSEALHLAILLLIKWGX#CCHHHHHHHHHHHHHHHHHHHHHHCCC&XSKLLLLLIILSEALHLAILLLIKWGX#CCCHHHHHHHHHHHHHHHHHHHTTCCC&XSKLLLLLIILSEALHLAILLLIKWGX#CCCTHHHHHHHHHHHHHHHHHHHHCCC&XSKLLLLLIILSEALHLAILLLIKWGX#CCHHHHHHHHHHHHHHHHHHHHHHCCC&XSKLLLLLIILSEALHLAILLLIKWGX#CCHHHHHHHHHHHHHHHHHHHHHHTCC&XSKLLLLLIILSEALHLAILLLIKWGX#CCCHHHHHHHHHHHHHHHHHHHHHHCC", "inchi": "InChI=1S/C2H4O/c1-2-3/h2H,1H3%%InChI=1/H3N/h1H3%%InChI=1S/C2H4O/c1-2-3/h2H,1H3%%InChI=1S/C6H14O2/c1-5(7)4-6(2,3)8/h5,7-8H,4H2,1-3H3/t5-/m0/s1%%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%%InChI=1S/C2H4O/c1-2-3/h2H,1H3%%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%%InChI=1S/C2H4O/c1-2-3/h2H,1H3%%InChI=1/H3N/h1H3%%InChI=1S/Zn/q+2", "method": "X-RAY DIFFRACTION", "ec_number": "", "uniprot_ac": "", "remarks": "Cross-alpha Amyloid-like Structure alphaAmmem", "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", "type": "Fibril", "ligand_smiles": "CC=O%%[NH2]%%CC=O%%C[C@@H](CC(C)(C)O)O%%[NH2]%%CC=O%%[NH2]%%CC=O%%[NH2]%%CC=O%%[NH2]%%CC=O%%[NH2]%%CC=O%%[NH2]%%CC=O%%[NH2]%%[Zn+2]", "chain_id": "A%%A%%B%%B%%B%%C%%C%%D%%D%%E%%E%%F%%F%%G%%G%%H%%H%%H", "species": "synthetic construct", "keyword": "cross-alpha amyloid-like membrane peptide alpha-AmMEM", "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;MPD:B:C6 H14 O2:118.17:(4S)-2-METHYL-2,4-PENTANEDIOL:C[C@@H](CC(C)(C)O)O:InChI=1S/C6H14O2/c1-5(7)4-6(2,3)8/h5,7-8H,4H2,1-3H3/t5-/m0/s1:SVTBMSDMJJWYQN-YFKPBYRVSA-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;ACE:E:C2 H4 O:44.05:ACETYL GROUP:CC=O:InChI=1S/C2H4O/c1-2-3/h2H,1H3:IKHGUXGNUITLKF-UHFFFAOYSA-N;NH2:E:H2 N:16.02:AMINO GROUP:[NH2]:InChI=1/H3N/h1H3:QGZKDVFQNNGYKY-UHFFFAOYAF;ACE:F:C2 H4 O:44.05:ACETYL GROUP:CC=O:InChI=1S/C2H4O/c1-2-3/h2H,1H3:IKHGUXGNUITLKF-UHFFFAOYSA-N;NH2:F:H2 N:16.02:AMINO GROUP:[NH2]:InChI=1/H3N/h1H3:QGZKDVFQNNGYKY-UHFFFAOYAF;ACE:G:C2 H4 O:44.05:ACETYL GROUP:CC=O:InChI=1S/C2H4O/c1-2-3/h2H,1H3:IKHGUXGNUITLKF-UHFFFAOYSA-N;NH2:G:H2 N:16.02:AMINO GROUP:[NH2]:InChI=1/H3N/h1H3:QGZKDVFQNNGYKY-UHFFFAOYAF;ACE:H:C2 H4 O:44.05:ACETYL GROUP:CC=O:InChI=1S/C2H4O/c1-2-3/h2H,1H3:IKHGUXGNUITLKF-UHFFFAOYSA-N;NH2:H:H2 N:16.02:AMINO GROUP:[NH2]:InChI=1/H3N/h1H3:QGZKDVFQNNGYKY-UHFFFAOYAF;ZN:H:Zn 2:65.41:ZINC ION:[Zn+2]:InChI=1S/Zn/q+2:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "pmid": "30061717", "mutation_s_field": "No", "author": "Zhang, S.Q., Huang, H., Yang, J., Kratochvil, H.T., Lolicato, M., Liu, Y., Shu, X., Liu, L., DeGrado, W.F.", "pdb_id": "6C4X", "amyloid_non_amyloid": "Amyloid", "inchi_key": "IKHGUXGNUITLKF-UHFFFAOYSA-N%%QGZKDVFQNNGYKY-UHFFFAOYAF%%IKHGUXGNUITLKF-UHFFFAOYSA-N%%SVTBMSDMJJWYQN-YFKPBYRVSA-N%%QGZKDVFQNNGYKY-UHFFFAOYAF%%IKHGUXGNUITLKF-UHFFFAOYSA-N%%QGZKDVFQNNGYKY-UHFFFAOYAF%%IKHGUXGNUITLKF-UHFFFAOYSA-N%%QGZKDVFQNNGYKY-UHFFFAOYAF%%IKHGUXGNUITLKF-UHFFFAOYSA-N%%QGZKDVFQNNGYKY-UHFFFAOYAF%%IKHGUXGNUITLKF-UHFFFAOYSA-N%%QGZKDVFQNNGYKY-UHFFFAOYAF%%IKHGUXGNUITLKF-UHFFFAOYSA-N%%QGZKDVFQNNGYKY-UHFFFAOYAF%%IKHGUXGNUITLKF-UHFFFAOYSA-N%%QGZKDVFQNNGYKY-UHFFFAOYAF%%PTFCDOFLOPIGGS-UHFFFAOYSA-N", "ligand_name": "ACETYL GROUP%%AMINO GROUP%%ACETYL GROUP%%(4S)-2-METHYL-2,4-PENTANEDIOL%%AMINO GROUP%%ACETYL GROUP%%AMINO GROUP%%ACETYL GROUP%%AMINO GROUP%%ACETYL GROUP%%AMINO GROUP%%ACETYL GROUP%%AMINO GROUP%%ACETYL GROUP%%AMINO GROUP%%ACETYL GROUP%%AMINO GROUP%%ZINC ION", "ligand_formula": "C2 H4 O%%H2 N%%C2 H4 O%%C6 H14 O2%%H2 N%%C2 H4 O%%H2 N%%C2 H4 O%%H2 N%%C2 H4 O%%H2 N%%C2 H4 O%%H2 N%%C2 H4 O%%H2 N%%C2 H4 O%%H2 N%%Zn 2", "ligand_id": "ACE%%NH2%%ACE%%MPD%%NH2%%ACE%%NH2%%ACE%%NH2%%ACE%%NH2%%ACE%%NH2%%ACE%%NH2%%ACE%%NH2%%ZN", "r_value_free": "0.345", "protein_name": "synthetic construct", "gene_names": "", "global_stoichiometry": "Homo 8-mer - A8", "alternative_name": "", "peptide_protein_sequence": "chain-ID A: XSKLLLLLIILSEALHLAILLLIKWGX; chain-ID B: XSKLLLLLIILSEALHLAILLLIKWGX; chain-ID C: XSKLLLLLIILSEALHLAILLLIKWGX; chain-ID D: XSKLLLLLIILSEALHLAILLLIKWGX; chain-ID E: XSKLLLLLIILSEALHLAILLLIKWGX; chain-ID F: XSKLLLLLIILSEALHLAILLLIKWGX; chain-ID G: XSKLLLLLIILSEALHLAILLLIKWGX; chain-ID H: XSKLLLLLIILSEALHLAILLLIKWGX", "pdb_classification": "DE NOVO PROTEIN", "reference": "Nat Chem Biol. 2018 Sep;14(9):870-875.", "length": "27", "entry": "S-0514"}