{"reference": "Nat Commun. 2016 Feb 23;7:10787.", "alternative_name": "ATTR, Prealbumin, TBPA", "entry": "S-0409", "gene_names": "TTR, PALB", "remarks": "V122I Transthyretin structure in complex with Tolcalpone", "secondary_structure": "MGPTGTGESKCPLMVKVLDAVRGSPAINVAVHVFRKAADDTWEPFASGKTSESGELHGLTTEEEFVEGIYKVEIDTKSYWKALGISPFHEHAEVVFTANDSGPRRYTIAALLSPYSYSTTAVITNPKE#CCCCCCCCCCCCEEEEEEETTTTEECTTCEEEEEEECTTSSEEEEEEEECCTTSEECCSCCTTTCCSEEEEEEEEHHHHHHHTTCCCSCSCEEEEEEESTTSCCCEEEEEEECSSCEEEEEEECCCCC", "chain_id": "A", "inchi": "InChI=1S/C14H11NO5/c1-8-2-4-9(5-3-8)13(17)10-6-11(15(19)20)14(18)12(16)7-10/h2-7,16,18H,1H3", "amyloid_non_amyloid": "Non-amyloid", "pmid": "26902880", "ligand_smiles": "Cc1ccc(cc1)C(=O)c2cc(c(c(c2)O)O)[N+](=O)[O-]", "keyword": "TRANSTHYRETIN", "peptide_protein_sequence": "chain-ID A: MGPTGTGESKCPLMVKVLDAVRGSPAINVAVHVFRKAADDTWEPFASGKTSESGELHGLTTEEEFVEGIYKVEIDTKSYWKALGISPFHEHAEVVFTANDSGPRRYTIAALLSPYSYSTTAVITNPKE", "uniprot_ac": "P02766", "protein_name": "Transthyretin", "r_value_free": "0.271", "mutation_s_field": "V122I ", "ligand_mw": "273.24", "pdb_id": "5A6I", "inchi_key": "MIQPIUSUKVNLNT-UHFFFAOYSA-N", "ec_number": "", "pdb_classification": "TRANSPORT PROTEIN", "type": "Inhibitor complex", "author": "Reverter, D., Gallego, P., Santana, R., Ventura, S.", "species": "Homo sapiens", "ligand_id": "TCW", "method": "X-RAY DIFFRACTION", "ligand_name": "Tolcapone", "global_stoichiometry": "Homo 4-mer - A4", "resolution": "1.86", "ligand_formula": "C14 H11 N O5", "length": "128", "ligstr": "TCW:A:C14 H11 N O5:273.24:Tolcapone:Cc1ccc(cc1)C(=O)c2cc(c(c(c2)O)O)[N+](=O)[O-]:InChI=1S/C14H11NO5/c1-8-2-4-9(5-3-8)13(17)10-6-11(15(19)20)14(18)12(16)7-10/h2-7,16,18H,1H3:MIQPIUSUKVNLNT-UHFFFAOYSA-N", "description": "Tolcapone binds specifically to TTR in human plasma, stabilizes the native tetramer in vivo in mice and humans and inhibits TTR cytotoxicity. Crystal structures of tolcapone bound to wild-type TTR and to the V122I cardiomyopathy-associated variant show that it docks better into the TTR T4 pocket than tafamidis."}