{"method": "X-RAY DIFFRACTION", "mutation_s_field": "No", "ec_number": "", "description": "Amyloid beta (ABeta) peptides, in particular ABeta42 and ABeta40, exert neurotoxic effects and their overproduction leads to amyloid deposits in the brain, thus constituting an important biomolecular target for treatments of Alzheimer's disease (AD). They describe the engineering of cognate Anticalins as a novel type of neutralizing protein reagent based on the human lipocalin scaffold. ", "ligstr": "ACE:B:C2 H4 O:44.05:ACETYL GROUP:CC=O:InChI=1S/C2H4O/c1-2-3/h2H,1H3:IKHGUXGNUITLKF-UHFFFAOYSA-N;NH2:B:H2 N:16.02:AMINO GROUP:[NH2]:InChI=1/H3N/h1H3:QGZKDVFQNNGYKY-UHFFFAOYAF", "pmid": "27029347", "remarks": "Crystal structure of an engineered lipocalin (Anticalin US7) in complex with the Alzheimer amyloid peptide fragment VFFAED", "amyloid_non_amyloid": "Non-amyloid", "type": "Protein", "inchi": "InChI=1S/C2H4O/c1-2-3/h2H,1H3%%InChI=1/H3N/h1H3", "resolution": "1.5", "species": "", "secondary_structure": "QDSTSDLIPAPPLSKVPLQQNFQDNQFHGKWYVVGVAGNKSLREDKDPWKMYATIYELKEDKSYNVTSVGFGTKKCHYKIRTFVPGSQPGEFTLGRIKSRPGRTSALVRVVSTNYNQHAMVFFKVVQQNRESFNITLYGRTKELTSELKENFIRFSKSLGLPENHIVFPVPIDQCIDGSAWSHPQFEK#CCCCCCCCCCCCGGGSCCCTTCCHHHHCEEEEEEEEEESSCCCSSSCCCBCCEEEEEECTTSCEEEEEEEECSSSEEEEEEEEEECSSTTEEEECSSSCCSSCEEEEEEEEEECSSSEEEEEEEEEETTEEEEEEEEEESSSCCCHHHHHHHHHHHHHTTCCGGGEECCBCCCTTTCCCCCCCCCCCC&XVFFAEDX#CCCCSCCC", "chain_id": "B%%B", "gene_names": "LCN2, HNL, NGAL & APP, A4, AD1", "r_value_free": "0.18600000", "pdb_id": "4MVK", "reference": "Biochem J. 2016 Jun 1;473(11):1563-78.", "keyword": "", "protein_name": "Amyloid-Beta", "ligand_formula": "C2 H4 O%%H2 N", "peptide_protein_sequence": "chain-ID A: QDSTSDLIPAPPLSKVPLQQNFQDNQFHGKWYVVGVAGNKSLREDKDPWKMYATIYELKEDKSYNVTSVGFGTKKCHYKIRTFVPGSQPGEFTLGRIKSRPGRTSALVRVVSTNYNQHAMVFFKVVQQNRESFNITLYGRTKELTSELKENFIRFSKSLGLPENHIVFPVPIDQCIDGSAWSHPQFEK; chain-ID B: XVFFAEDX", "entry": "S-0344", "length": "188 ,  8", "uniprot_ac": "", "author": "Rauth, S., Hinz, D., Borger, M., Uhrig, M., Mayhaus, M., Riemenschneider, M., Skerra, A.", "ligand_smiles": "CC=O%%[NH2]", "ligand_mw": "44.05%%16.02", "alternative_name": "25 kDa alpha-2-microglobulin-related subunit of MMP-9, Lipocalin-2, Oncogene 24p3, Siderocalin, p25 & ABPP, APPI, Alzheimer disease amyloid protein, Amyloid precursor protein, Amyloid-beta precursor protein, Cerebral vascular amyloid peptide, PreA4, Prote", "ligand_name": "ACETYL GROUP%%AMINO GROUP", "pdb_classification": "PROTEIN BINDING/PROTEIN FIBRIL", "global_stoichiometry": "Monomer - A", "inchi_key": "IKHGUXGNUITLKF-UHFFFAOYSA-N%%QGZKDVFQNNGYKY-UHFFFAOYAF", "ligand_id": "ACE%%NH2"}