{"reference": "Angew Chem Int Ed Engl. 2003 Jun 23;42(24):2758-61", "alternative_name": "ATTR, Prealbumin, TBPA", "entry": "S-0097", "gene_names": "TTR, PALB", "remarks": "Human transthyretin (TTR) complexed with Benzoxazole", "secondary_structure": "GPTGTGESKCPLMVKVLDAVRGSPAINVAVHVFRKAADDTWEPFASGKTSESGELHGLTTEEEFVEGIYKVEIDTKSYWKALGISPFHEHAEVVFTANDSGPRRYTIAALLSPYSYSTTAVVTNPKE#CCCCCCCCCCCEEEEEEETTTTEECTTCEEEEEEECTTSCEEEEEEEECCTTSEECCSCCTTTCCSEEEEEEECHHHHHHHTTCCCSEEEEEEEEEESTTSCCEEEEEEEEETTEEEEEEEEECCCC&GPTGTGESKCPLMVKVLDAVRGSPAINVAVHVFRKAADDTWEPFASGKTSESGELHGLTTEEEFVEGIYKVEIDTKSYWKALGISPFHEHAEVVFTANDSGPRRYTIAALLSPYSYSTTAVVTNPKE#CCCCCCCCCCCEEEEEEETTTTEECCSCEEEEEEECTTSCEEEEEEEECCTTSEECCSCCTTTCCSEEEEEEECHHHHHHHTTCCCSEEEEEEEEEECCCCCCCEEEEEEEETTEEEEEEEECCCCC", "chain_id": "A%%B", "inchi": "InChI=1S/C14H7Cl2NO3/c15-8-2-1-3-9(16)12(8)13-17-10-5-4-7(14(18)19)6-11(10)20-13/h1-6H,(H,18,19)%%InChI=1S/C14H7Cl2NO3/c15-8-2-1-3-9(16)12(8)13-17-10-5-4-7(14(18)19)6-11(10)20-13/h1-6H,(H,18,19)", "amyloid_non_amyloid": "Non-amyloid", "pmid": "12820260", "ligand_smiles": "c1cc(c(c(c1)Cl)c2nc3ccc(cc3o2)C(=O)O)Cl%%c1cc(c(c(c1)Cl)c2nc3ccc(cc3o2)C(=O)O)Cl", "keyword": "Transthyretin", "peptide_protein_sequence": "chain-ID A: GPTGTGESKCPLMVKVLDAVRGSPAINVAVHVFRKAADDTWEPFASGKTSESGELHGLTTEEEFVEGIYKVEIDTKSYWKALGISPFHEHAEVVFTANDSGPRRYTIAALLSPYSYSTTAVVTNPKE; chain-ID B: GPTGTGESKCPLMVKVLDAVRGSPAINVAVHVFRKAADDTWEPFASGKTSESGELHGLTTEEEFVEGIYKVEIDTKSYWKALGISPFHEHAEVVFTANDSGPRRYTIAALLSPYSYSTTAVVTNPKE", "uniprot_ac": "P02766", "protein_name": "Transthyretin", "r_value_free": "0.24600000", "mutation_s_field": "No", "ligand_mw": "308.12%%308.12", "pdb_id": "2F8I", "inchi_key": "XVNRKPCHMYOPPL-UHFFFAOYSA-N%%XVNRKPCHMYOPPL-UHFFFAOYSA-N", "ec_number": "", "pdb_classification": "HORMONE/GROWTH FACTOR", "type": "Inhibitor complex", "author": "Razavi, H., Palaninathan, S.K., Powers, E.T., Wiseman, R.L., Purkey, H.E., Mohamedmohaideen, N.N., Deechongkit, S., Chiang, K.P., Dendle, M.T., Sacchettini, J.C., Kelly, J.W.", "species": "Homo sapiens", "ligand_id": "205%%205", "method": "X-RAY DIFFRACTION", "ligand_name": "2-(2,6-DICHLOROPHENYL)-1,3-BENZOXAZOLE-6-CARBOXYLIC ACID%%2-(2,6-DICHLOROPHENYL)-1,3-BENZOXAZOLE-6-CARBOXYLIC ACID", "global_stoichiometry": "Homo 2-mer - A2 ", "resolution": "1.54", "ligand_formula": "C14 H7 Cl2 N O3%%C14 H7 Cl2 N O3", "length": "127", "ligstr": "205:A:C14 H7 Cl2 N O3:308.12:2-(2,6-DICHLOROPHENYL)-1,3-BENZOXAZOLE-6-CARBOXYLIC ACID:c1cc(c(c(c1)Cl)c2nc3ccc(cc3o2)C(=O)O)Cl:InChI=1S/C14H7Cl2NO3/c15-8-2-1-3-9(16)12(8)13-17-10-5-4-7(14(18)19)6-11(10)20-13/h1-6H,(H,18,19):XVNRKPCHMYOPPL-UHFFFAOYSA-N;205:B:C14 H7 Cl2 N O3:308.12:2-(2,6-DICHLOROPHENYL)-1,3-BENZOXAZOLE-6-CARBOXYLIC ACID:c1cc(c(c(c1)Cl)c2nc3ccc(cc3o2)C(=O)O)Cl:InChI=1S/C14H7Cl2NO3/c15-8-2-1-3-9(16)12(8)13-17-10-5-4-7(14(18)19)6-11(10)20-13/h1-6H,(H,18,19):XVNRKPCHMYOPPL-UHFFFAOYSA-N", "description": "Benzoxazoles substituted with a carboxylic acid at C4\u00e2\u20ac\u201cC7 and a halogenated phenyl ring at C2 complements the TTR thyroxine binding site. "}