{"resolution": "2.1", "ligand_mw": "92.09%%126.9", "secondary_structure": "KVKVWGSIKGL#CEEEEECCTTC&KVKVWGSIKGL#CEEEEEECTTC&KVKVWGSIKGL#CEEEEEECTTC&KVKVWGSIKGL#CEEEEEECTTC&KVKVWGSIKGL#CEEEEEECTTC&KVKVWGSIKGL#CEEEEEECTTC&KVKVWGSIKGL#CEEEEEECTTC&KVKVWGSIKGL#CEEEEECCTTC", "inchi": "InChI=1S/C3H8O3/c4-1-3(6)2-5/h3-6H,1-2H2%%InChI=1S/HI/h1H/p-1", "method": "X-RAY DIFFRACTION", "ec_number": "1.15.1.1", "uniprot_ac": "P00441", "remarks": "Corkscrew assembly of SOD1 residues 28-38", "description": "They determine the corkscrew-like structure of a cytotoxic segment of superoxide dismutase 1 (SOD1) in its oligomeric state. Residues 28\u00e2\u20ac\u201c38 of SOD1 (with the sequence PVKVWGSIKGL) have the potential to form a toxic amyloid oligomers. To increase solubility for crystallization, they engineered a single-residue substitution: P28K. The crystal structure shows a twisted Beta-sheet built of antiparallel, out-of-register Beta-strands. Describing its shape, they term it the \u00e2\u20ac\u0153corkscrew\u00e2\u20ac\u009d.", "type": "Peptide", "ligand_smiles": "C(C(CO)O)O%%[I-]", "chain_id": "B%%D", "species": "Homo sapiens", "keyword": "Superoxide dismutase [Cu-Zn]", "ligstr": "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;IOD:D:I -1:126.9:IODIDE ION:[I-]:InChI=1S/HI/h1H/p-1:XMBWDFGMSWQBCA-UHFFFAOYSA-M", "pmid": "28760994", "mutation_s_field": "No", "author": "Sangwan, S., Zhao, A., Adams, K.L., Jayson, C.K., Sawaya, M.R., Guenther, E.L., Pan, A.C., Ngo, J., Moore, D.M., Soriaga, A.B., Do, T.D., Goldschmidt, L., Nelson, R., Bowers, M.T., Koehler, C.M., Shaw, D.E., Novitch, B.G., Eisenberg, D.S.", "pdb_id": "5DLI", "amyloid_non_amyloid": "Non-amyloid", "inchi_key": "PEDCQBHIVMGVHV-UHFFFAOYSA-N%%XMBWDFGMSWQBCA-UHFFFAOYSA-M", "ligand_name": "GLYCEROL%%IODIDE ION", "ligand_formula": "C3 H8 O3%%I -1", "ligand_id": "GOL%%IOD", "r_value_free": "0.262", "protein_name": "Superoxide dismutase [Cu-Zn]", "gene_names": "", "global_stoichiometry": "Homo 8-mer - A8 ", "alternative_name": "", "peptide_protein_sequence": "chain-ID A: KVKVWGSIKGL; chain-ID B: KVKVWGSIKGL; chain-ID C: KVKVWGSIKGL; chain-ID D: KVKVWGSIKGL; chain-ID E: KVKVWGSIKGL; chain-ID F: KVKVWGSIKGL; chain-ID G: KVKVWGSIKGL; chain-ID H: KVKVWGSIKGL", "pdb_classification": "UNKNOWN FUNCTION", "reference": "Proc Natl Acad Sci U S A. 2017 Aug 15;114(33):8770-8775.", "length": "11", "entry": "S-0423"}