{"global_stoichiometry": "Homo 4-mer - A4 ", "ligstr": "16V:A:C15 H17 F N2 O3:292.3:3-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propoxy]-4-fluorobenzoic acid:Cc1c(c(n[nH]1)C)CCCOc2cc(ccc2F)C(=O)O:InChI=1S/C15H17FN2O3/c1-9-12(10(2)18-17-9)4-3-7-21-14-8-11(15(19)20)5-6-13(14)16/h5-6,8H,3-4,7H2,1-2H3,(H,17,18)(H,19,20):WBFUHHBPNXWNCC-UHFFFAOYSA-N;16V:B:C15 H17 F N2 O3:292.3:3-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propoxy]-4-fluorobenzoic acid:Cc1c(c(n[nH]1)C)CCCOc2cc(ccc2F)C(=O)O:InChI=1S/C15H17FN2O3/c1-9-12(10(2)18-17-9)4-3-7-21-14-8-11(15(19)20)5-6-13(14)16/h5-6,8H,3-4,7H2,1-2H3,(H,17,18)(H,19,20):WBFUHHBPNXWNCC-UHFFFAOYSA-N", "uniprot_ac": "P02766", "inchi": "InChI=1S/C15H17FN2O3/c1-9-12(10(2)18-17-9)4-3-7-21-14-8-11(15(19)20)5-6-13(14)16/h5-6,8H,3-4,7H2,1-2H3,(H,17,18)(H,19,20)%%InChI=1S/C15H17FN2O3/c1-9-12(10(2)18-17-9)4-3-7-21-14-8-11(15(19)20)5-6-13(14)16/h5-6,8H,3-4,7H2,1-2H3,(H,17,18)(H,19,20)", "reference": "Proc Natl Acad Sci U S A. 2013 Jun 11;110(24):9992-7.", "author": "Penchala, S.C., Connelly, S., Wang, Y., Park, M.S., Zhao, L., Baranczak, A., Rappley, I., Vogel, H., Liedtke, M., Witteles, R.M., Powers, E.T., Reixach, N., Chan, W.K., Wilson, I.A., Kelly, J.W., Graef, I.A., Alhamadsheh, M.M.", "type": "Inhibitor complex", "ligand_id": "16V%%16V", "species": "Homo sapiens", "method": "X-RAY DIFFRACTION", "keyword": "Transthyretin", "gene_names": "TTR, PALB", "chain_id": "A%%B", "ligand_mw": "292.3%%292.3", "inchi_key": "WBFUHHBPNXWNCC-UHFFFAOYSA-N%%WBFUHHBPNXWNCC-UHFFFAOYSA-N", "secondary_structure": "GPTGTGESKCPLMVKVLDAVRGSPAINVAVHVFRKAADDTWEPFASGKTSESGELHGLTTEEEFVEGIYKVEIDTKSYWKALGISPFHEHAEVVFTANDSGPRRYTIAALLSPYSYSTTAVITNPKE#CCCCCCCCCCCEEEEEEETTTTEECTTCEEEEEEECTTSCEEEEEEEECCTTSEECCSCCTTTCCSEEEEEEECHHHHHHHTTCCCSBSCEEEEEEESTTSCCEEEEEEEEETTEEEEEEEEECCCC&GPTGTGESKCPLMVKVLDAVRGSPAINVAVHVFRKAADDTWEPFASGKTSESGELHGLTTEEEFVEGIYKVEIDTKSYWKALGISPFHEHAEVVFTANDSGPRRYTIAALLSPYSYSTTAVITNPKE#CCCCCCCCCCCEEEEEEETTTTEECTTCEEEEEEECTTSCEEEEEEEECCTTSEECCSCCTTTCCSEEEEEEECHHHHHHHTTCCCSEEEEEEEEEECTTSCSEEEEEEEECSSEEEEEEEEECCCC", "amyloid_non_amyloid": "Non-amyloid", "length": "127", "remarks": "The Structure of V122I Mutant Transthyretin in Complex with AG10", "protein_name": "Transthyretin", "peptide_protein_sequence": "chain-ID A: GPTGTGESKCPLMVKVLDAVRGSPAINVAVHVFRKAADDTWEPFASGKTSESGELHGLTTEEEFVEGIYKVEIDTKSYWKALGISPFHEHAEVVFTANDSGPRRYTIAALLSPYSYSTTAVITNPKE; chain-ID B: GPTGTGESKCPLMVKVLDAVRGSPAINVAVHVFRKAADDTWEPFASGKTSESGELHGLTTEEEFVEGIYKVEIDTKSYWKALGISPFHEHAEVVFTANDSGPRRYTIAALLSPYSYSTTAVITNPKE", "ligand_name": "3-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propoxy]-4-fluorobenzoic acid%%3-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propoxy]-4-fluorobenzoic acid", "ligand_smiles": "Cc1c(c(n[nH]1)C)CCCOc2cc(ccc2F)C(=O)O%%Cc1c(c(n[nH]1)C)CCCOc2cc(ccc2F)C(=O)O", "pdb_id": "4HIQ", "ec_number": "", "pdb_classification": "HORMONE BINDING PROTEIN/INHIBITOR", "mutation_s_field": "V122I", "ligand_formula": "C15 H17 F N2 O3%%C15 H17 F N2 O3", "r_value_free": "0.18600000", "alternative_name": "ATTR, Prealbumin, TBPA", "description": "They report the development of AG10, a potent and selective kinetic stabilizer of TTR. AG10 prevents dissociation of V122I-TTR in serum samples obtained from patients with familial amyloid cardiomyopathy. In contrast to other TTR stabilizers currently in clinical trials, AG10 stabilizes V122I- and WT-TTR equally well and also exceeds their efficacy to stabilize WT and mutant TTR in whole serum.", "resolution": "1.18", "pmid": "23716704", "entry": "S-0321"}