{"global_stoichiometry": "Homo 4-mer - A4 ", "ligstr": "PCQ:A:C12 H6 Cl4 O2:323.99:3,5,3',5'-TETRACHLORO-BIPHENYL-4,4'-DIOL:c1c(cc(c(c1Cl)O)Cl)c2cc(c(c(c2)Cl)O)Cl:InChI=1S/C12H6Cl4O2/c13-7-1-5(2-8(14)11(7)17)6-3-9(15)12(18)10(16)4-6/h1-4,17-18H:YCYDXOVJXVALHY-UHFFFAOYSA-N;PCQ:B:C12 H6 Cl4 O2:323.99:3,5,3',5'-TETRACHLORO-BIPHENYL-4,4'-DIOL:c1c(cc(c(c1Cl)O)Cl)c2cc(c(c(c2)Cl)O)Cl:InChI=1S/C12H6Cl4O2/c13-7-1-5(2-8(14)11(7)17)6-3-9(15)12(18)10(16)4-6/h1-4,17-18H:YCYDXOVJXVALHY-UHFFFAOYSA-N", "uniprot_ac": "P02766", "inchi": "InChI=1S/C12H6Cl4O2/c13-7-1-5(2-8(14)11(7)17)6-3-9(15)12(18)10(16)4-6/h1-4,17-18H%%InChI=1S/C12H6Cl4O2/c13-7-1-5(2-8(14)11(7)17)6-3-9(15)12(18)10(16)4-6/h1-4,17-18H", "reference": "Chem Biol. 2004 Dec;11(12):1719-28", "author": "Purkey, H.E., Palaninathan, S.K., Kent, K.C., Smith, C., Safe, S.H., Sacchettini, J.C., Kelly, J.W.", "type": "Inhibitor complex", "ligand_id": "PCQ%%PCQ", "species": "Homo sapiens", "method": "X-RAY DIFFRACTION", "keyword": "Transthyretin", "gene_names": "TTR, PALB", "chain_id": "A%%B", "ligand_mw": "323.99%%323.99", "inchi_key": "YCYDXOVJXVALHY-UHFFFAOYSA-N%%YCYDXOVJXVALHY-UHFFFAOYSA-N", "secondary_structure": "GPTGTGESKCPLMVKVLDAVRGSPAINVAVHVFRKAADDTWEPFASGKTSESGELHGLTTEEEFVEGIYKVEIDTKSYWKALGISPFHEHAEVVFTANDSGPRRYTIAALLSPYSYSTTAVVTNPKE#CCCCCCCCCCCEEEEEEETTTTEECTTCEEEEEEECTTSCEEEEEEEECCTTSEECCSCCTTTCCSEEEEEEECHHHHHHHTTCCCSEEEEEEEEEESTTSCCEEEEEEEEETTEEEEEEEEECCCC&GPTGTGESKCPLMVKVLDAVRGSPAINVAVHVFRKAADDTWEPFASGKTSESGELHGLTTEEEFVEGIYKVEIDTKSYWKALGISPFHEHAEVVFTANDSGPRRYTIAALLSPYSYSTTAVVTNPKE#CCCCCCCCCCCEEEEEEETTTTEECTTCEEEEEEECTTSCEEEEEEEECCTTSEECCSCCTTTCCSEEEEEEECHHHHHHHTTCCCSEEEEEEEEEECCCCCCCEEEEEEEETTEEEEEEEECCCCC", "amyloid_non_amyloid": "Non-amyloid", "length": "127", "remarks": "Human Transthyretin (TTR) Complexed with Hydroxylated polychlorinated Biphenyl-4,4'-dihydroxy-3,3',5,5'-tetrachlorobiphenyl", "protein_name": "Transthyretin", "peptide_protein_sequence": "chain-ID A: GPTGTGESKCPLMVKVLDAVRGSPAINVAVHVFRKAADDTWEPFASGKTSESGELHGLTTEEEFVEGIYKVEIDTKSYWKALGISPFHEHAEVVFTANDSGPRRYTIAALLSPYSYSTTAVVTNPKE; chain-ID B: GPTGTGESKCPLMVKVLDAVRGSPAINVAVHVFRKAADDTWEPFASGKTSESGELHGLTTEEEFVEGIYKVEIDTKSYWKALGISPFHEHAEVVFTANDSGPRRYTIAALLSPYSYSTTAVVTNPKE", "ligand_name": "3,5,3',5'-TETRACHLORO-BIPHENYL-4,4'-DIOL%%3,5,3',5'-TETRACHLORO-BIPHENYL-4,4'-DIOL", "ligand_smiles": "c1c(cc(c(c1Cl)O)Cl)c2cc(c(c(c2)Cl)O)Cl%%c1c(cc(c(c1Cl)O)Cl)c2cc(c(c(c2)Cl)O)Cl", "pdb_id": "2G5U", "ec_number": "", "pdb_classification": "HORMONE/GROWTH FACTOR", "mutation_s_field": "No", "ligand_formula": "C12 H6 Cl4 O2%%C12 H6 Cl4 O2", "r_value_free": "0.22", "alternative_name": "ATTR, Prealbumin, TBPA", "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.", "resolution": "1.8", "pmid": "15610856", "entry": "S-0107"}