{"description": "\"They present three separate monoclonal antibodies that specifically recognize ABeta pE3 and inhibit ABeta pE3 fibril formation in vitro. In vivo application of one of these resulted in improved memory in ABeta pE3 oligomer-treated mice. Crystal structures of F ab -ABeta pE3 complexes revealed two distinct binding modes for the peptide. Juxtaposition of pyroglutamate pE3 and the F4 side chain (the \"\"pEF head\"\") confers a pronounced bulky hydrophobic nature to the ABeta pE3 N terminus that might explain the enhanced aggregation properties of the modified peptide. The deep burial of the pEF head by two of the antibodies explains their high target specificity and low cross-reactivity.\"", "pdb_id": "5MYK", "species": "", "ligand_id": "PCA", "author": "Piechotta, A., Parthier, C., Kleinschmidt, M., Gnoth, K., Pillot, T., Lues, I., Demuth, H.U., Schilling, S., Rahfeld, J.U., Stubbs, M.T.", "mutation_s_field": "No", "alternative_name": "ABPP, Alzheimer disease amyloid A4 protein homolog, Amyloid precursor protein, Amyloid-beta precursor protein, Amyloidogenic glycoprotein", "secondary_structure": "DVVMTQTPLSLPVSLGDQASISCRSSQSLVHSDGNTYLHWYLQKPGQSPKLLIYKVSNRFSGVPDRFSGSGSGTDFTLKISRVEAEDLGVYFCSQSTHVPPTFGGGTKLEIKRADAAPTVSIFPPSSEQLTSGGASVVCFLNNFYPKDINVKWKIDGSERQNGVLNSWTDQDSKDSTYSMSSTLTLTKDEYERHNSYTCEATHKTSTSPIVKSFNRNEC#CCCEEEECSEEEECTTSCEEEEEEESSCCBCTTSCBCEEEEEECTTSCCEEEEETTTEECTTCCTTEEEEEETTEEEEEESSCCGGGCEEEEEEECSSSSCEECCCEEEEECCCCBCCEEEEECCCHHHHHTTEEEEEEEEEEEBSSCCEEEEEETTEEECTTEEEEECCCCTTTCCEEEEEEEEEEHHHHHTCCEEEEEEEETTEEEEEEEEEEGGGC&EVKLVESGGGLVQPGGSRKLSCAASGFTFSDYGMAWVRQAPGKGPEWVAFISNLAYSIYYADTVTGRFTISRENAKNTLYLEMSSLRSEDTAMYYCARYDYDNILDYVMDYWGQGTSVTVSSAKTTPPSVYPLAPGCGDTTGSSVTLGCLVKGYFPESVTVTWNSGSLSSSVHTFPALLQSGLYTMSSSVTVPSSTWPSQTVTCSVAHPASSTTVDKKLEPSGPISTINPC#CCEEEEECCEEECTTCCEEEEEEEESSCGGGSCEEEEEECTTSCCEEEEEECTTSCCEEECTTTTTTEEEEEEGGGTEEEEEECSCCGGGCEEEEEEEEEESSSEEEEEEEECCCEEEEECCCCCBCCEEEEECTTCCCCCCCEEEEEEEEEEEBSSCCEEEEGGGTBCTTCEEEEEEEETTEEEEEEEEEEETTTTTTSCCEEEEEEGGGTEEEEEECCCCCCCCCCCCC&EFGHDSGFEVRHQKLV#CEECCCCCCCCCCCCC", "length": "219 ,  231 ,  16", "method": "X-RAY DIFFRACTION", "inchi": "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", "ligand_mw": "129.11", "chain_id": "C", "pdb_classification": "IMMUNE SYSTEM", "protein_name": "Amyloid-beta", "remarks": "Structure of Pyroglutamate-Abeta-specific Fab c#17 in complex with murine Abeta-pE3-18PEGb", "type": "Inhibitor complex", "keyword": "", "uniprot_ac": "", "ec_number": "", "r_value_free": "0.21", "global_stoichiometry": "Homo 2-mer -A2", "amyloid_non_amyloid": "Non-amyloid", "entry": "S-0453", "pmid": "28623233", "peptide_protein_sequence": "chain-ID A: DVVMTQTPLSLPVSLGDQASISCRSSQSLVHSDGNTYLHWYLQKPGQSPKLLIYKVSNRFSGVPDRFSGSGSGTDFTLKISRVEAEDLGVYFCSQSTHVPPTFGGGTKLEIKRADAAPTVSIFPPSSEQLTSGGASVVCFLNNFYPKDINVKWKIDGSERQNGVLNSWTDQDSKDSTYSMSSTLTLTKDEYERHNSYTCEATHKTSTSPIVKSFNRNEC; chain-ID B: EVKLVESGGGLVQPGGSRKLSCAASGFTFSDYGMAWVRQAPGKGPEWVAFISNLAYSIYYADTVTGRFTISRENAKNTLYLEMSSLRSEDTAMYYCARYDYDNILDYVMDYWGQGTSVTVSSAKTTPPSVYPLAPGCGDTTGSSVTLGCLVKGYFPESVTVTWNSGSLSSSVHTFPALLQSGLYTMSSSVTVPSSTWPSQTVTCSVAHPASSTTVDKKLEPSGPISTINPC; chain-ID C: EFGHDSGFEVRHQKLV", "ligand_formula": "C5 H7 N O3", "resolution": "1.6", "inchi_key": "ODHCTXKNWHHXJC-VKHMYHEASA-N", "ligand_smiles": "C1CC(=O)N[C@@H]1C(=O)O", "reference": "J Biol Chem. 2017 Jul 28;292(30):12713-12724.", "ligand_name": "PYROGLUTAMIC ACID", "ligstr": "PCA:C: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", "gene_names": "App"}