{"global_stoichiometry": "Homo 2-mer -A2", "ligstr": "SO4:H: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", "uniprot_ac": "", "inchi": "InChI=1S/H2O4S/c1-5(2,3)4/h(H2,1,2,3,4)/p-2", "reference": "Sci Rep. 2018 Apr 23;8(1):6412.", "author": "Arndt, J.W., Qian, F., Smith, B.A., Quan, C., Kilambi, K.P., Bush, M.W., Walz, T., Pepinsky, R.B., Bussiere, T., Hamann, S., Cameron, T.O., Weinreb, P.H.", "type": "Inhibitor complex", "ligand_id": "SO4", "species": "", "method": "X-RAY DIFFRACTION", "keyword": "", "gene_names": "APP, A4, AD1", "chain_id": "H", "ligand_mw": "96.06", "inchi_key": "QAOWNCQODCNURD-UHFFFAOYSA-L", "secondary_structure": "QVQLVESGGGVVQPGRSLRLSCAASGFAFSSYGMHWVRQAPGKGLEWVAVIWFDGTKKYYTDSVKGRFTISRDNSKNTLYLQMNTLRAEDTAVYYCARDRGIGARRGPYYMDVWGKGTTVTVSSASTKGPSVFPLAPSSKSTSGGTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTQTYICNVNHKPSNTKVDKRVEPKSC#CCEEEEECCCEECTTCCEEEEEEEESSCGGGSEEEEEEECTTSCEEEEEEECTTSCCEEECGGGTTTEEEEEETTTTEEEEEECSCCGGGCEEEEEEEECCBTTTTBCCCEEEECCCEEEEECSCCCBCCEEEEECCCCCCCCCCCEEEEEEEEEEBSSCCEEEEGGGTBCTTEEECCCEECTTSCEEEEEEEEECGGGGGTCCEEEEEEEGGGTEEEEEEECCCCC&DIQMTQSPSSLSASVGDRVTITCRASQSISSYLNWYQQKPGKAPKLLIYAASSLQSGVPSRFSGSGSGTDFTLTISSLQPEDFATYYCQQSYSTPLTFGGGTKVEIKRTVAAPSVFIFPPSDEQLKSGTASVVCLLNNFYPREAKVQWKVDNALQSGNSQESVTEQDSKDSTYSLSSTLTLSKADYEKHKVYACEVTHQGLSSPVTKSFNRGEC#CCCEEEECSEEEECTTCCEEEEEEESSCCTTCEEEEEECTTSCCEEEEETTTEECTTCCTTEEEEEETTEEEEEESSCCGGGCSEEEEEECSBSSCEECCCEEEEECCCCBCCEEEEECCCHHHHHHTEEEEEEEEEEEBSSCCEEEEEETTEEECSSEEEEECCCCTTTCCEEEEEEEEEEHHHHHTCCEEEEEEECTTCSSCEEEEEECCCC&DAEFRHDSGYE#CCCCBCCCCCC", "amyloid_non_amyloid": "Non-amyloid", "length": "227 ,  214 ,  11", "remarks": "aducanumab abeta complex", "protein_name": "Amyloid-beta", "peptide_protein_sequence": "chain-ID H: QVQLVESGGGVVQPGRSLRLSCAASGFAFSSYGMHWVRQAPGKGLEWVAVIWFDGTKKYYTDSVKGRFTISRDNSKNTLYLQMNTLRAEDTAVYYCARDRGIGARRGPYYMDVWGKGTTVTVSSASTKGPSVFPLAPSSKSTSGGTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTQTYICNVNHKPSNTKVDKRVEPKSC; chain-ID L: DIQMTQSPSSLSASVGDRVTITCRASQSISSYLNWYQQKPGKAPKLLIYAASSLQSGVPSRFSGSGSGTDFTLTISSLQPEDFATYYCQQSYSTPLTFGGGTKVEIKRTVAAPSVFIFPPSDEQLKSGTASVVCLLNNFYPREAKVQWKVDNALQSGNSQESVTEQDSKDSTYSLSSTLTLSKADYEKHKVYACEVTHQGLSSPVTKSFNRGEC; chain-ID Q: DAEFRHDSGYE", "ligand_name": "SULFATE ION", "ligand_smiles": "[O-]S(=O)(=O)[O-]", "pdb_id": "6CO3", "ec_number": "", "pdb_classification": "IMMUNE SYSTEM", "mutation_s_field": "No", "ligand_formula": "O4 S -2", "r_value_free": "0.235", "alternative_name": "ABPP, APPI, Alzheimer disease amyloid protein, Amyloid precursor protein, Amyloid-beta precursor protein, Cerebral vascular amyloid peptide, PreA4, Protease nexin-II", "description": "Aducanumab, a human-derived antibody targeting amyloid-Beta (ABeta), is in Phase 3 clinical trials for the treatment of Alzheimer's disease. The crystal structure of the Fab fragment of aducanumab bound to its epitope peptide reveals that aducanumab binds to the N terminus of ABeta in an extended conformation, distinct from those seen in structures with other antibodies that target this immunodominant epitope. Aducanumab recognizes a compact epitope that sits in a shallow pocket on the antibody surface.", "resolution": "2.38", "pmid": "29686315", "entry": "S-0528"}