{"reference": "Science. 2012 Mar 9;335(6073):1228-31.", "alternative_name": "", "entry": "S-0300", "gene_names": "", "remarks": "Amyloid-related segment of alphaB-crystallin residues 90-100 mutant V91L", "secondary_structure": "KLKVLGDVIEV#CEEEEEEEEEC&KLKVLGDVIEV#CEEEEEEEEEC&KLKVLGDVIEV#CEEEEEEEEEC&KLKVLGDVIEV#CEEEEEEEEEC", "chain_id": "A%%B%%C", "inchi": "InChI=1S/C6H14O2/c1-5(7)4-6(2,3)8/h5,7-8H,4H2,1-3H3/t5-/m1/s1%%InChI=1S/C6H14O2/c1-5(7)4-6(2,3)8/h5,7-8H,4H2,1-3H3/t5-/m0/s1%%InChI=1S/C6H14O2/c1-5(7)4-6(2,3)8/h5,7-8H,4H2,1-3H3/t5-/m0/s1", "amyloid_non_amyloid": "Amyloid", "pmid": "22403391", "ligand_smiles": "C[C@H](CC(C)(C)O)O%%C[C@@H](CC(C)(C)O)O%%C[C@@H](CC(C)(C)O)O", "keyword": "Alpha-crystallin B chain", "peptide_protein_sequence": "chain-ID A: KLKVLGDVIEV; chain-ID B: KLKVLGDVIEV; chain-ID C: KLKVLGDVIEV; chain-ID D: KLKVLGDVIEV", "uniprot_ac": "P02511", "protein_name": "Alpha-crystallin B chain", "r_value_free": "0.23800000", "mutation_s_field": "K11V, V2L", "ligand_mw": "118.17%%118.17%%118.17", "pdb_id": "3SGP", "inchi_key": "SVTBMSDMJJWYQN-RXMQYKEDSA-N%%SVTBMSDMJJWYQN-YFKPBYRVSA-N%%SVTBMSDMJJWYQN-YFKPBYRVSA-N", "ec_number": "", "pdb_classification": "PROTEIN FIBRIL", "type": "Fibril", "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.", "species": "Homo sapiens", "ligand_id": "MRD%%MPD%%MPD", "method": "X-RAY DIFFRACTION", "ligand_name": "(4R)-2-METHYLPENTANE-2,4-DIOL%%(4S)-2-METHYL-2,4-PENTANEDIOL%%(4S)-2-METHYL-2,4-PENTANEDIOL", "global_stoichiometry": "Homo 6-mer - A6 ", "resolution": "1.4", "ligand_formula": "C6 H14 O2%%C6 H14 O2%%C6 H14 O2", "length": "11", "ligstr": "MRD:A:C6 H14 O2:118.17:(4R)-2-METHYLPENTANE-2,4-DIOL: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-/m1/s1:SVTBMSDMJJWYQN-RXMQYKEDSA-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;MPD:C: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", "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. "}