{"resolution": "1.85", "ligand_mw": "307.99%%307.99", "secondary_structure": "GPTGTGESKCPLMVKVLDAVRGSPAINVAVHVFRKAADDTWEPFASGKTSESGELHGLTTEEEFVEGIYKVEIDTKSYWKALGISPFHEHAEVVFTANDSGPRRYTIAALLSPYSYSTTAVVTNPKE#CCCCCCCCCCCEEEEEEETTTTEECCSCEEEEEEECTTSCEEEEEEEECCTTSEECCSCCTTTCCSEEEEEEECHHHHHHHTTCCCSEEEEEEEEEECCCCCCCEEEEEEEETTEEEEEEEECCCCC&GPTGTGESKCPLMVKVLDAVRGSPAINVAVHVFRKAADDTWEPFASGKTSESGELHGLTTEEEFVEGIYKVEIDTKSYWKALGISPFHEHAEVVFTANDSGPRRYTIAALLSPYSYSTTAVVTNPKE#CCCCCCCCCCCEEEEEEETTTTEECCSCEEEEEEECTTSCEEEEEEEECCTTSEECCSCCTTTCCSEEEEEEECHHHHHHHTTCCCSEEEEEEEEEESTTSCCCEEEEEEEETTEEEEEEEECCCCC", "inchi": "InChI=1S/C12H6Cl4O/c13-8-2-1-6(3-9(8)14)7-4-10(15)12(17)11(16)5-7/h1-5,17H%%InChI=1S/C12H6Cl4O/c13-8-2-1-6(3-9(8)14)7-4-10(15)12(17)11(16)5-7/h1-5,17H", "method": "X-RAY DIFFRACTION", "ec_number": "", "uniprot_ac": "P02766", "remarks": "Human Transthyretin (TTR) Complexed with Hydroxylated polychlorinated Biphenyl-4-hydroxy-3,3',5,4'-tetrachlorobiphenyl", "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(cc1c2cc(c(c(c2)Cl)O)Cl)Cl)Cl%%c1cc(c(cc1c2cc(c(c(c2)Cl)O)Cl)Cl)Cl", "chain_id": "A%%B", "species": "Homo sapiens", "keyword": "Transthyretin", "ligstr": "NE2:A:C12 H6 Cl4 O:307.99:3,3',4',5-TETRACHLOROBIPHENYL-4-OL:c1cc(c(cc1c2cc(c(c(c2)Cl)O)Cl)Cl)Cl:InChI=1S/C12H6Cl4O/c13-8-2-1-6(3-9(8)14)7-4-10(15)12(17)11(16)5-7/h1-5,17H:RQGVZEFZWFEKQR-UHFFFAOYSA-N;NE2:B:C12 H6 Cl4 O:307.99:3,3',4',5-TETRACHLOROBIPHENYL-4-OL:c1cc(c(cc1c2cc(c(c(c2)Cl)O)Cl)Cl)Cl:InChI=1S/C12H6Cl4O/c13-8-2-1-6(3-9(8)14)7-4-10(15)12(17)11(16)5-7/h1-5,17H:RQGVZEFZWFEKQR-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": "2GAB", "amyloid_non_amyloid": "Non-amyloid", "inchi_key": "RQGVZEFZWFEKQR-UHFFFAOYSA-N%%RQGVZEFZWFEKQR-UHFFFAOYSA-N", "ligand_name": "3,3',4',5-TETRACHLOROBIPHENYL-4-OL%%3,3',4',5-TETRACHLOROBIPHENYL-4-OL", "ligand_formula": "C12 H6 Cl4 O%%C12 H6 Cl4 O", "ligand_id": "NE2%%NE2", "r_value_free": "0.23800000", "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-0109"}