{"resolution": "2.77", "ligand_mw": "102.05%%102.05%%102.05%%92.09", "secondary_structure": "KVKVWGSIKRL#CEEEEEEESCC&KVKVWGSIKRL#CEEEEEEESCC&KVKVWGSIKRL#CEEEEEEECCC&KVKVWGSIKRL#CEEEEEEESCC&KVKVWGSIKRL#CEEEEEEESBC&KVKVWGSIKRL#CEEEEEEESCC&KVKVWGSIKRL#CEEEEEEESBC&KVKVWGSIKRL#CEEEEEEESCC&KVKVWGSIKRL#CEEEEEEESCC&KVKVWGSIKRL#CEEEEEEESCC", "inchi": "InChI=1S/C3H4O4/c4-2(5)1-3(6)7/h1H2,(H,4,5)(H,6,7)/p-2%%InChI=1S/C3H4O4/c4-2(5)1-3(6)7/h1H2,(H,4,5)(H,6,7)/p-2%%InChI=1S/C3H4O4/c4-2(5)1-3(6)7/h1H2,(H,4,5)(H,6,7)/p-2%%InChI=1S/C3H8O3/c4-1-3(6)2-5/h3-6H,1-2H2", "method": "X-RAY DIFFRACTION", "ec_number": "1.15.1.1", "uniprot_ac": "P00441", "remarks": "Corkscrew assembly of SOD1 residues 28-38 with familial mutation G37R", "description": "Crystal structures of variants of the cytotoxic oligomer-forming segment residues 28-38 of the ALS-linked protein, SOD1. The crystal structures reveal three different architectures: corkscrew oligomeric structure, nontwisting curved sheet structure and a steric zipper proto-filament structure.", "type": "Fibril", "ligand_smiles": "C(C(=O)[O-])C(=O)[O-]%%C(C(=O)[O-])C(=O)[O-]%%C(C(=O)[O-])C(=O)[O-]%%C(C(CO)O)O", "chain_id": "A%%B%%E%%I", "species": "Homo sapiens", "keyword": "Superoxide dismutase [Cu-Zn]", "ligstr": "MLI:A:C3 H2 O4 -2:102.05:MALONATE ION:C(C(=O)[O-])C(=O)[O-]:InChI=1S/C3H4O4/c4-2(5)1-3(6)7/h1H2,(H,4,5)(H,6,7)/p-2:OFOBLEOULBTSOW-UHFFFAOYSA-L;MLI:B:C3 H2 O4 -2:102.05:MALONATE ION:C(C(=O)[O-])C(=O)[O-]:InChI=1S/C3H4O4/c4-2(5)1-3(6)7/h1H2,(H,4,5)(H,6,7)/p-2:OFOBLEOULBTSOW-UHFFFAOYSA-L;MLI:E:C3 H2 O4 -2:102.05:MALONATE ION:C(C(=O)[O-])C(=O)[O-]:InChI=1S/C3H4O4/c4-2(5)1-3(6)7/h1H2,(H,4,5)(H,6,7)/p-2:OFOBLEOULBTSOW-UHFFFAOYSA-L;GOL:I: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", "pmid": "29453800", "mutation_s_field": "G37R", "author": "Sangwan, S., Sawaya, M.R., Murray, K.A., Hughes, M.P., Eisenberg, D.S.", "pdb_id": "5WOR", "amyloid_non_amyloid": "Non-amyloid", "inchi_key": "OFOBLEOULBTSOW-UHFFFAOYSA-L%%OFOBLEOULBTSOW-UHFFFAOYSA-L%%OFOBLEOULBTSOW-UHFFFAOYSA-L%%PEDCQBHIVMGVHV-UHFFFAOYSA-N", "ligand_name": "MALONATE ION%%MALONATE ION%%MALONATE ION%%GLYCEROL", "ligand_formula": "C3 H2 O4 -2%%C3 H2 O4 -2%%C3 H2 O4 -2%%C3 H8 O3", "ligand_id": "MLI%%MLI%%MLI%%GOL", "r_value_free": "0.247", "protein_name": "Superoxide dismutase [Cu-Zn]", "gene_names": "", "global_stoichiometry": "Homo 20-mer - A20 ", "alternative_name": "", "peptide_protein_sequence": "chain-ID A: KVKVWGSIKRL; chain-ID B: KVKVWGSIKRL; chain-ID C: KVKVWGSIKRL; chain-ID D: KVKVWGSIKRL; chain-ID E: KVKVWGSIKRL; chain-ID F: KVKVWGSIKRL; chain-ID G: KVKVWGSIKRL; chain-ID H: KVKVWGSIKRL; chain-ID I: KVKVWGSIKRL; chain-ID J: KVKVWGSIKRL", "pdb_classification": "PROTEIN FIBRIL", "reference": "Protein Sci. 2018 Jul;27(7):1231-1242.", "length": "11", "entry": "S-0493"}