{"resolution": "1.85", "ligand_mw": "342.43%%342.43", "secondary_structure": "GPTGTGESKCPLMVKVLDAVRGSPAINVAVHVFRKAADDTWEPFASGKTSESGELHGLTTEEEFVEGIYKVEIDTKSYWKALGISPFHEHAEVVFTANDSGPRRYTIAALLSPYSYSTTAVVTNPKE#CCCCCCCCCCCEEEEEEETTTTEECTTCEEEEEEECTTSCEEEEEEEECCTTSEECCSCCTTTCCSEEEEEEECHHHHHHHTTCCCSEEEEEEEEEESTTSCCEEEEEEEEETTEEEEEEEEECCCC&GPTGTGESKCPLMVKVLDAVRGSPAINVAVHVFRKAADDTWEPFASGKTSESGELHGLTTEEEFVEGIYKVEIDTKSYWKALGISPFHEHAEVVFTANDSGPRRYTIAALLSPYSYSTTAVVTNPKE#CCCCCCCCCCCEEEEEEETTTTEECTTCEEEEEEECTTSCEEEEEEEECCTTSEECCSCCTTTCCSEEEEEEECHHHHHHHTTCCCSEEEEEEEEEECCSSSCCEEEEEEEETTEEEEEEEECCCCC", "inchi": "InChI=1S/C12H5Cl5O/c13-7-2-1-6(10(16)11(7)17)5-3-8(14)12(18)9(15)4-5/h1-4,18H%%InChI=1S/C12H5Cl5O/c13-7-2-1-6(10(16)11(7)17)5-3-8(14)12(18)9(15)4-5/h1-4,18H", "method": "X-RAY DIFFRACTION", "ec_number": "", "uniprot_ac": "P02766", "remarks": "Hydroxylated polychlorinated biphenyls selectively bind transthyretin in blood and inhibit amyloidogenesis: rationalizing rodent PCB toxicity", "description": "The efficacy of inhibitor is among the highest observed. This is likely attributable to their high binding affinity and their slow dissociation rates and their non- or positively cooperative TTR binding properties, which are unusual.", "type": "Inhibitor complex", "ligand_smiles": "c1cc(c(c(c1c2cc(c(c(c2)Cl)O)Cl)Cl)Cl)Cl%%c1cc(c(c(c1c2cc(c(c(c2)Cl)O)Cl)Cl)Cl)Cl", "chain_id": "A%%B", "species": "Homo sapiens", "keyword": "Transthyretin", "ligstr": "NE1:A:C12 H5 Cl5 O:342.43:2',3,3',4',5-PENTACHLOROBIPHENYL-4-OL:c1cc(c(c(c1c2cc(c(c(c2)Cl)O)Cl)Cl)Cl)Cl:InChI=1S/C12H5Cl5O/c13-7-2-1-6(10(16)11(7)17)5-3-8(14)12(18)9(15)4-5/h1-4,18H:YICLFMBHTHJFHZ-UHFFFAOYSA-N;NE1:B:C12 H5 Cl5 O:342.43:2',3,3',4',5-PENTACHLOROBIPHENYL-4-OL:c1cc(c(c(c1c2cc(c(c(c2)Cl)O)Cl)Cl)Cl)Cl:InChI=1S/C12H5Cl5O/c13-7-2-1-6(10(16)11(7)17)5-3-8(14)12(18)9(15)4-5/h1-4,18H:YICLFMBHTHJFHZ-UHFFFAOYSA-N", "pmid": "15610856", "mutation_s_field": "No", "author": "Purkey, H.E., Palaninathan, S.K., Kent, K.C., Smith, C., Safe, S.H., Sacchettini, J.C., Kelly, J.W.", "pdb_id": "2G9K", "amyloid_non_amyloid": "Non-amyloid", "inchi_key": "YICLFMBHTHJFHZ-UHFFFAOYSA-N%%YICLFMBHTHJFHZ-UHFFFAOYSA-N", "ligand_name": "2',3,3',4',5-PENTACHLOROBIPHENYL-4-OL%%2',3,3',4',5-PENTACHLOROBIPHENYL-4-OL", "ligand_formula": "C12 H5 Cl5 O%%C12 H5 Cl5 O", "ligand_id": "NE1%%NE1", "r_value_free": "0.257", "protein_name": "Transthyretin", "gene_names": "TTR, PALB", "global_stoichiometry": "Homo 4-mer - A4 ", "alternative_name": "ATTR, Prealbumin, TBPA", "peptide_protein_sequence": "chain-ID A: GPTGTGESKCPLMVKVLDAVRGSPAINVAVHVFRKAADDTWEPFASGKTSESGELHGLTTEEEFVEGIYKVEIDTKSYWKALGISPFHEHAEVVFTANDSGPRRYTIAALLSPYSYSTTAVVTNPKE; chain-ID B: GPTGTGESKCPLMVKVLDAVRGSPAINVAVHVFRKAADDTWEPFASGKTSESGELHGLTTEEEFVEGIYKVEIDTKSYWKALGISPFHEHAEVVFTANDSGPRRYTIAALLSPYSYSTTAVVTNPKE", "pdb_classification": "HORMONE/GROWTH FACTOR", "reference": "Chem Biol. 2004 Dec;11(12):1719-28", "length": "127", "entry": "S-0108"}