{"method": "X-RAY DIFFRACTION", "mutation_s_field": "No", "ec_number": "", "description": "Antibodies targeting the immunodominant N-terminal epitope of ABeta and capable of binding both the plaques and soluble species have been most efficacious in animal models. Structural studies of such antibodies with bound ABeta peptides provided the basis for understanding the mechanisms of action and the differences in potency. They determined the crystal structure of murine antibody C706 in complex with the N-terminal ABeta 1-16 peptide sequence.", "ligstr": "GOL:H: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;PCA:H:C5 H7 N O3:129.11:PYROGLUTAMIC ACID:C1CC(=O)N[C@@H]1C(=O)O:InChI=1S/C5H7NO3/c7-4-2-1-3(6-4)5(8)9/h3H,1-2H2,(H,6,7)(H,8,9)/t3-/m0/s1:ODHCTXKNWHHXJC-VKHMYHEASA-N;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;GOL:L: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;PCA:L:C5 H7 N O3:129.11:PYROGLUTAMIC ACID:C1CC(=O)N[C@@H]1C(=O)O:InChI=1S/C5H7NO3/c7-4-2-1-3(6-4)5(8)9/h3H,1-2H2,(H,6,7)(H,8,9)/t3-/m0/s1:ODHCTXKNWHHXJC-VKHMYHEASA-N;SO4:L: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;ACE:P:C2 H4 O:44.05:ACETYL GROUP:CC=O:InChI=1S/C2H4O/c1-2-3/h2H,1H3:IKHGUXGNUITLKF-UHFFFAOYSA-N;NH2:P:H2 N:16.02:AMINO GROUP:[NH2]:InChI=1/H3N/h1H3:QGZKDVFQNNGYKY-UHFFFAOYAF;SO4:P: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", "pmid": "28830506", "remarks": "ANTIBODY C706 IN COMPLEX WTH BETA-AMYLOID PEPTIDE 1-16", "amyloid_non_amyloid": "Non-amyloid", "type": "Inhibitor complex", "inchi": "InChI=1S/C3H8O3/c4-1-3(6)2-5/h3-6H,1-2H2%%InChI=1S/C5H7NO3/c7-4-2-1-3(6-4)5(8)9/h3H,1-2H2,(H,6,7)(H,8,9)/t3-/m0/s1%%InChI=1S/H2O4S/c1-5(2,3)4/h(H2,1,2,3,4)/p-2%%InChI=1S/C3H8O3/c4-1-3(6)2-5/h3-6H,1-2H2%%InChI=1S/C5H7NO3/c7-4-2-1-3(6-4)5(8)9/h3H,1-2H2,(H,6,7)(H,8,9)/t3-/m0/s1%%InChI=1S/H2O4S/c1-5(2,3)4/h(H2,1,2,3,4)/p-2%%InChI=1S/C2H4O/c1-2-3/h2H,1H3%%InChI=1/H3N/h1H3%%InChI=1S/H2O4S/c1-5(2,3)4/h(H2,1,2,3,4)/p-2", "resolution": "1.92", "species": "", "secondary_structure": "EVQLQQSGPELMKPGASVKISCKATGYTFSTSWIEWIKQRPGHGLEWIGEVLPGSGKSNHNANFKGRATFTADTASNTAYMQLSSLTSEDSAVYYCAREGSNNNALAYWGQGTLVTVSAASTKGPSVFPLAPSSKSTSGGTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTQTYICNVNHKPSNTKVDKKVEPKSC#CCEEEECCCEEECTTCCEEEEEEEESSCGGGSCEEEEEEETTTEEEEEEEEETTTTEEEECGGGTTCEEEEEETTTTEEEEEECSCCGGGCEEEEEEEECSSSCSEEEECCCEEEEECCCCCBCCEEEEECCCCCCCCCCEEEEEEEEEEEBSSCCEEEEGGGTBCTTEEECCCEECTTSCEEEEEEEEEEGGGGGTSCCEEEEEETTTTEEEEEECCCCCC&EIVLTQSPAIMSASPGEKVTMTCSASSSVSYMHWYQQKSGTSPKRWIYDSSRLASGVPSRFSGGGSGTSYSLTISNMEAEDAATYFCQNWRSSPTFGAGTKLELKRTVAAPSVFIFPPSDEQLKSGTASVVCLLNNFYPREAKVQWKVDNALQSGNSQESVTEQDSKDSTYSLSSTLTLSKADYEKHKVYACEVTHQGLSSPVTKSFNRGEC#CCCEEEECSEEEECTTCCEEEEEEEEEEESCCEEEEECTTSCCEEEEETTTEECTTCCTTEEEEEEEEEEEEEESSCCGGGCEEEEEECTTSSSSBCCCEEEEECCCCBCCEEEEECCCHHHHTTTEEEEEEEEEEEBSSCCEEEEEETTEECCSSEEEEECCCCTTTCCEEEEEEEEEEHHHHHTCCEEEEEEECTTCSSCEEEEEETTCC&XDAEFRHDSGYEVHHQKX#CCCTTCCCCSCCCCCCCC", "chain_id": "H%%H%%H%%L%%L%%L%%P%%P%%P", "gene_names": "APP, A4, AD1", "r_value_free": "0.23600000", "pdb_id": "5W3P", "reference": "Alzheimers Res Ther. 2017 Aug 22;9(1):66.", "keyword": "", "protein_name": "Amyloid-beta", "ligand_formula": "C3 H8 O3%%C5 H7 N O3%%O4 S -2%%C3 H8 O3%%C5 H7 N O3%%O4 S -2%%C2 H4 O%%H2 N%%O4 S -2", "peptide_protein_sequence": "chain-ID H: EVQLQQSGPELMKPGASVKISCKATGYTFSTSWIEWIKQRPGHGLEWIGEVLPGSGKSNHNANFKGRATFTADTASNTAYMQLSSLTSEDSAVYYCAREGSNNNALAYWGQGTLVTVSAASTKGPSVFPLAPSSKSTSGGTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTQTYICNVNHKPSNTKVDKKVEPKSC; chain-ID L: EIVLTQSPAIMSASPGEKVTMTCSASSSVSYMHWYQQKSGTSPKRWIYDSSRLASGVPSRFSGGGSGTSYSLTISNMEAEDAATYFCQNWRSSPTFGAGTKLELKRTVAAPSVFIFPPSDEQLKSGTASVVCLLNNFYPREAKVQWKVDNALQSGNSQESVTEQDSKDSTYSLSSTLTLSKADYEKHKVYACEVTHQGLSSPVTKSFNRGEC; chain-ID P: XDAEFRHDSGYEVHHQKX", "entry": "S-0479", "length": "222 ,  212 ,  18", "uniprot_ac": "", "author": "Teplyakov, A., Obmolova, G., Gilliland, G.L.", "ligand_smiles": "C(C(CO)O)O%%C1CC(=O)N[C@@H]1C(=O)O%%[O-]S(=O)(=O)[O-]%%C(C(CO)O)O%%C1CC(=O)N[C@@H]1C(=O)O%%[O-]S(=O)(=O)[O-]%%CC=O%%[NH2]%%[O-]S(=O)(=O)[O-]", "ligand_mw": "92.09%%129.11%%96.06%%92.09%%129.11%%96.06%%44.05%%16.02%%96.06", "alternative_name": "ABPP, APPI, Alzheimer disease amyloid protein, Amyloid precursor protein, Amyloid-beta precursor protein, Cerebral vascular amyloid peptide, PreA4, Protease nexin-II", "ligand_name": "GLYCEROL%%PYROGLUTAMIC ACID%%SULFATE ION%%GLYCEROL%%PYROGLUTAMIC ACID%%SULFATE ION%%ACETYL GROUP%%AMINO GROUP%%SULFATE ION", "pdb_classification": "IMMUNE SYSTEM", "global_stoichiometry": "Homo 2-mer -A2 ", "inchi_key": "PEDCQBHIVMGVHV-UHFFFAOYSA-N%%ODHCTXKNWHHXJC-VKHMYHEASA-N%%QAOWNCQODCNURD-UHFFFAOYSA-L%%PEDCQBHIVMGVHV-UHFFFAOYSA-N%%ODHCTXKNWHHXJC-VKHMYHEASA-N%%QAOWNCQODCNURD-UHFFFAOYSA-L%%IKHGUXGNUITLKF-UHFFFAOYSA-N%%QGZKDVFQNNGYKY-UHFFFAOYAF%%QAOWNCQODCNURD-UHFFFAOYSA-L", "ligand_id": "GOL%%PCA%%SO4%%GOL%%PCA%%SO4%%ACE%%NH2%%SO4"}