{"method": "X-RAY DIFFRACTION", "mutation_s_field": "Zn-H46R", "ec_number": "1.15.1.1", "description": "The observation of the hollow, pore-like structure formed by Zn\u00e2\u20ac\u201cH46R is particularly intriguing because 'amyloid pores' are observed in mutants of Alpha-synuclein and Beta-amyloid. all Zn\u00e2\u20ac\u201cH46R subunits have zinc bound in their Zn-binding sites but no metal in their Cu-binding sites", "ligstr": "SO4:W:O4 S -2:96.06:SULFATE ION:[O-]S(=O)(=O)[O-]:InChI=1S/H2O4S/c1-5(2,3)4/h(H2,1,2,3,4)/p-2:QAOWNCQODCNURD-UHFFFAOYSA-L;ZN:W:Zn 2:65.41:ZINC ION:[Zn+2]:InChI=1S/Zn/q+2:PTFCDOFLOPIGGS-UHFFFAOYSA-N;SO4:X:O4 S -2:96.06:SULFATE ION:[O-]S(=O)(=O)[O-]:InChI=1S/H2O4S/c1-5(2,3)4/h(H2,1,2,3,4)/p-2:QAOWNCQODCNURD-UHFFFAOYSA-L;ZN:X:Zn 2:65.41:ZINC ION:[Zn+2]:InChI=1S/Zn/q+2:PTFCDOFLOPIGGS-UHFFFAOYSA-N;SO4:Y:O4 S -2:96.06:SULFATE ION:[O-]S(=O)(=O)[O-]:InChI=1S/H2O4S/c1-5(2,3)4/h(H2,1,2,3,4)/p-2:QAOWNCQODCNURD-UHFFFAOYSA-L;ZN:Y:Zn 2:65.41:ZINC ION:[Zn+2]:InChI=1S/Zn/q+2:PTFCDOFLOPIGGS-UHFFFAOYSA-N;SO4:Z:O4 S -2:96.06:SULFATE ION:[O-]S(=O)(=O)[O-]:InChI=1S/H2O4S/c1-5(2,3)4/h(H2,1,2,3,4)/p-2:QAOWNCQODCNURD-UHFFFAOYSA-L;ZN:Z:Zn 2:65.41:ZINC ION:[Zn+2]:InChI=1S/Zn/q+2:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "pmid": "12754496", "remarks": "Zn His46Arg mutant of Human Cu, Zn Superoxide Dismutase; water-filled nanotubes", "amyloid_non_amyloid": "Amyloid", "type": "Protein", "inchi": "InChI=1S/H2O4S/c1-5(2,3)4/h(H2,1,2,3,4)/p-2%%InChI=1S/Zn/q+2%%InChI=1S/H2O4S/c1-5(2,3)4/h(H2,1,2,3,4)/p-2%%InChI=1S/Zn/q+2%%InChI=1S/H2O4S/c1-5(2,3)4/h(H2,1,2,3,4)/p-2%%InChI=1S/Zn/q+2%%InChI=1S/H2O4S/c1-5(2,3)4/h(H2,1,2,3,4)/p-2%%InChI=1S/Zn/q+2", "resolution": "2.15", "species": "Homo sapiens", "secondary_structure": "ATKAVCVLKGDGPVQGIINFEQKESNGPVKVWGSIKGLTEGLHGFRVHEFGDNTAGCTSAGPHFNPLSRKHGGPKDEERHVGDLGNVTADKDGVADVSIEDSVISLSGDHCIIGRTLVVHEKADDLGKGGNEESTKTGNAGSRLACGVIGIAQ#CCEEEEEEBCSSSCEEEEEEECSSTTSCEEEEEEEESCCSEEEEEEEESCCCCTTGGGGGCSBCCCCCCCCCCCCCCCCCTTEEEEEEECTTSCEEEEEEESSSBSSSTTBCTTSEEEEESSCCCCCCCCCCCCCCCCCCCCEEEEEECEECC&ATKAVCVLKGDGPVQGIINFEQKESNGPVKVWGSIKGLTEGLHGFRVHEFGDNTAGCTSAGPHFNPLSRKHGGPKDEERHVGDLGNVTADKDGVADVSIEDSVISLSGDHCIIGRTLVVHEKADDLGKGGNEESTKTGNAGSRLACGVIGIAQ#CCEEEEEEBCSSSCEEEEEEECSSSSSCEEEEEEEESCCSEEEEEEEESCCCCTTGGGGGCSBCCCCCCCCCCCCCCCCCTTEEEEEEECTTSCEEEEEEESSSBSSSTTBCTTSEEEEESSCCCCCCCCCCCCCCCCCCCCEEEEEECEECC&ATKAVCVLKGDGPVQGIINFEQKESNGPVKVWGSIKGLTEGLHGFRVHEFGDNTAGCTSAGPHFNPLSRKHGGPKDEERHVGDLGNVTADKDGVADVSIEDSVISLSGDHCIIGRTLVVHEKADDLGKGGNEESTKTGNAGSRLACGVIGIAQ#CCEEEEEEBCSSSCEEEEEEECSSSSSCEEEEEEEESCCSEEEEEEEESCCCCTTGGGGGCSBCCCCCCCCCCCCCCCCCTTEEEEEEECTTSCEEEEEEESSSBSSSTTBCTTSEEEEESSCCCCCCCCCCCCCCCCCCCCEEEEEECEECC&ATKAVCVLKGDGPVQGIINFEQKESNGPVKVWGSIKGLTEGLHGFRVHEFGDNTAGCTSAGPHFNPLSRKHGGPKDEERHVGDLGNVTADKDGVADVSIEDSVISLSGDHCIIGRTLVVHEKADDLGKGGNEESTKTGNAGSRLACGVIGIAQ#CCEEEEEEBCSSSCEEEEEEECSSTTSCEEEEEEEESCCSEEEEEEEESCCCCTTGGGGGCSBCCCCCCCCCCCCCCCCCTTEEEEEEECTTSCEEEEEEESSSBSSSTTBCTTSEEEEESSCCCCCCCCCCCCCCCCCCCCEEEEEECEECC", "chain_id": "W%%W%%X%%X%%Y%%Y%%Z%%Z", "gene_names": "SOD1", "r_value_free": "0.23399999", "pdb_id": "1OEZ", "reference": "Nat Struct Biol. 2003 Jun;10(6):461-7", "keyword": "SUPEROXIDE DISMUTASE [CU-ZN]", "protein_name": "Superoxide dismutase [Cu-Zn]", "ligand_formula": "O4 S -2%%Zn 2%%O4 S -2%%Zn 2%%O4 S -2%%Zn 2%%O4 S -2%%Zn 2", "peptide_protein_sequence": "chain-ID W: ATKAVCVLKGDGPVQGIINFEQKESNGPVKVWGSIKGLTEGLHGFRVHEFGDNTAGCTSAGPHFNPLSRKHGGPKDEERHVGDLGNVTADKDGVADVSIEDSVISLSGDHCIIGRTLVVHEKADDLGKGGNEESTKTGNAGSRLACGVIGIAQ; chain-ID X: ATKAVCVLKGDGPVQGIINFEQKESNGPVKVWGSIKGLTEGLHGFRVHEFGDNTAGCTSAGPHFNPLSRKHGGPKDEERHVGDLGNVTADKDGVADVSIEDSVISLSGDHCIIGRTLVVHEKADDLGKGGNEESTKTGNAGSRLACGVIGIAQ; chain-ID Y: ATKAVCVLKGDGPVQGIINFEQKESNGPVKVWGSIKGLTEGLHGFRVHEFGDNTAGCTSAGPHFNPLSRKHGGPKDEERHVGDLGNVTADKDGVADVSIEDSVISLSGDHCIIGRTLVVHEKADDLGKGGNEESTKTGNAGSRLACGVIGIAQ; chain-ID Z: ATKAVCVLKGDGPVQGIINFEQKESNGPVKVWGSIKGLTEGLHGFRVHEFGDNTAGCTSAGPHFNPLSRKHGGPKDEERHVGDLGNVTADKDGVADVSIEDSVISLSGDHCIIGRTLVVHEKADDLGKGGNEESTKTGNAGSRLACGVIGIAQ", "entry": "S-0046", "length": "153", "uniprot_ac": "P00441", "author": "Elam, J.S., Taylor, A.B., Strange, R.W., Antonyuk, S., Doucette, P., Rodriguez, J., Hasnain, S.S., Hayward, L.J., Valentine, J.S., Yeates, T.O., Hart, P.J.", "ligand_smiles": "[O-]S(=O)(=O)[O-]%%[Zn+2]%%[O-]S(=O)(=O)[O-]%%[Zn+2]%%[O-]S(=O)(=O)[O-]%%[Zn+2]%%[O-]S(=O)(=O)[O-]%%[Zn+2]", "ligand_mw": "96.06%%65.41%%96.06%%65.41%%96.06%%65.41%%96.06%%65.41", "alternative_name": "Superoxide dismutase 1", "ligand_name": "SULFATE ION%%ZINC ION%%SULFATE ION%%ZINC ION%%SULFATE ION%%ZINC ION%%SULFATE ION%%ZINC ION", "pdb_classification": "OXIDOREDUCTASE", "global_stoichiometry": "Homo 2-mer - A2", "inchi_key": "QAOWNCQODCNURD-UHFFFAOYSA-L%%PTFCDOFLOPIGGS-UHFFFAOYSA-N%%QAOWNCQODCNURD-UHFFFAOYSA-L%%PTFCDOFLOPIGGS-UHFFFAOYSA-N%%QAOWNCQODCNURD-UHFFFAOYSA-L%%PTFCDOFLOPIGGS-UHFFFAOYSA-N%%QAOWNCQODCNURD-UHFFFAOYSA-L%%PTFCDOFLOPIGGS-UHFFFAOYSA-N", "ligand_id": "SO4%%ZN%%SO4%%ZN%%SO4%%ZN%%SO4%%ZN"}