{"resolution": "2.17", "ligand_mw": "118.17", "secondary_structure": "GKLKVLGDVIEVGGKLKVLGDVIEV#CCEEEEEEEEEETTEEEEEEEEEEC&GKLKVLGDVIEVGGKLKVLGDVIEV#CBEEEEEEEEEETTEEEEEEEEEEC&GKLKVLGDVIEVGGKLKVLGDVIEV#CCEEEEEEEEEETTEEEEEEEEEEC&GKLKVLGDVIEVGGKLKVLGDVIEV#CCEEEEEEEEEETTEEEEEEEEEEC&GKLKVLGDVIEVGGKLKVLGDVIEV#CCEEEEEEEEEETTEEEEEEEEEEC&GKLKVLGDVIEVGGKLKVLGDVIEV#CCEEEEEEEEEETTEEEEEEEEEEC", "inchi": "InChI=1S/C6H14O2/c1-5(7)4-6(2,3)8/h5,7-8H,4H2,1-3H3/t5-/m0/s1", "method": "X-RAY DIFFRACTION", "ec_number": "", "uniprot_ac": "P02511", "remarks": "Tandem repeat of amyloid-related segment of alphaB-crystallin residues 90-100 mutant V91L", "description": "They identify a segment of the amyloid-forming protein AlphaB crystallin, which forms an oligomeric complex exhibiting properties of other amyloid oligomers: Beta-sheet-rich structure, cytotoxicity, and recognition by an oligomer-specific antibody. The x-ray-derived atomic structure of the oligomer reveals a cylindrical barrel, formed from six antiparallel protein strands, that was termed cylindrin. ", "type": "Fibril", "ligand_smiles": "C[C@@H](CC(C)(C)O)O", "chain_id": "E", "species": "Homo sapiens", "keyword": "Tandem repeat of amyloid-related segment of alphaB-crystallin residues 90-100 mutant V91L", "ligstr": "MPD:E: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", "pmid": "22403391", "mutation_s_field": "K11V-TR", "author": "Laganowsky, A., Liu, C., Sawaya, M.R., Whitelegge, J.P., Park, J., Zhao, M., Pensalfini, A., Soriaga, A.B., Landau, M., Teng, P.K., Cascio, D., Glabe, C., Eisenberg, D.", "pdb_id": "3SGR", "amyloid_non_amyloid": "Amyloid", "inchi_key": "SVTBMSDMJJWYQN-YFKPBYRVSA-N", "ligand_name": "(4S)-2-METHYL-2,4-PENTANEDIOL", "ligand_formula": "C6 H14 O2", "ligand_id": "MPD", "r_value_free": "0.23399999", "protein_name": "Alpha-crystallin B chain", "gene_names": "CRYAB, CRYA2, HSPB5", "global_stoichiometry": "Homo 6-mer - A6 ", "alternative_name": "Alpha(B)-crystallin, Heat shock protein beta-5, Renal carcinoma antigen NY-REN-27, Rosenthal fiber component", "peptide_protein_sequence": "chain-ID A: GKLKVLGDVIEVGGKLKVLGDVIEV; chain-ID B: GKLKVLGDVIEVGGKLKVLGDVIEV; chain-ID C: GKLKVLGDVIEVGGKLKVLGDVIEV; chain-ID D: GKLKVLGDVIEVGGKLKVLGDVIEV; chain-ID E: GKLKVLGDVIEVGGKLKVLGDVIEV; chain-ID F: GKLKVLGDVIEVGGKLKVLGDVIEV", "pdb_classification": "PROTEIN FIBRIL", "reference": "Science. 2012 Mar 9;335(6073):1228-31.", "length": "25", "entry": "S-0301"}