{"resolution": "1.85", "ligand_mw": "270.24%%270.24", "secondary_structure": "GPTGTGESKCPLMVKVLDAVRGSPAINVAVHVFRKAADDTWEPFASGKTSESGELHGLTTEEEFVEGIYKVEIDTKSYWKALGISPFHEHAEVVFTANDSGPRRYTIAALLSPYSYSTTAVVTNPKE#CCCCCCCCCCCEEEEEEETTTTEECTTCEEEEEEECTTSCEEEEEEEECCTTSEECCSCCTTTCCSEEEEEEECHHHHHHHTTCCCSBSCEEEEEEESTTSCCEEEEEEEEETTEEEEEEEEECCCC&GPTGTGESKCPLMVKVLDAVRGSPAINVAVHVFRKAADDTWEPFASGKTSESGELHGLTTEEEFVEGIYKVEIDTKSYWKALGISPFHEHAEVVFTANDSGPRRYTIAALLSPYSYSTTAVVTNPKE#CCCCCCCCCCCEEEEEEETTTTEECCSCEEEEEEECTTSCEEEEEEEECCTTSEECCSCCTTTCCSEEEEEEECHHHHHHHHTCCCSBSCEEEEEEECCSSSCEEEEEEEEETTEEEEEEEEECCCC", "inchi": "InChI=1S/C15H10O5/c16-9-3-1-8(2-4-9)11-7-20-13-6-10(17)5-12(18)14(13)15(11)19/h1-7,16-18H%%InChI=1S/C15H10O5/c16-9-3-1-8(2-4-9)11-7-20-13-6-10(17)5-12(18)14(13)15(11)19/h1-7,16-18H", "method": "X-RAY DIFFRACTION", "ec_number": "", "uniprot_ac": "P02766", "remarks": "Wild type human transthyretin (TTR) complexed with genistein (TTRwt:GEN) pH 7.5", "description": "Isoflavone genistein (GEN) potently inhibits TTR amyloid fibril formation and is therefore a promising candidate for TTR amyloidosis treatment. Genistein elicited considerable increases in both mutant and TTRwt stability. The binding mechanisms of genistein to the TTRwt and to V30M are different and are dependent on apoTTR structure conformations.", "type": "Inhibitor complex", "ligand_smiles": "c1cc(ccc1C2=COc3cc(cc(c3C2=O)O)O)O%%c1cc(ccc1C2=COc3cc(cc(c3C2=O)O)O)O", "chain_id": "A%%B", "species": "Homo sapiens", "keyword": "Transthyretin", "ligstr": "GEN:A:C15 H10 O5:270.24:GENISTEIN:c1cc(ccc1C2=COc3cc(cc(c3C2=O)O)O)O:InChI=1S/C15H10O5/c16-9-3-1-8(2-4-9)11-7-20-13-6-10(17)5-12(18)14(13)15(11)19/h1-7,16-18H:TZBJGXHYKVUXJN-UHFFFAOYSA-N;GEN:B:C15 H10 O5:270.24:GENISTEIN:c1cc(ccc1C2=COc3cc(cc(c3C2=O)O)O)O:InChI=1S/C15H10O5/c16-9-3-1-8(2-4-9)11-7-20-13-6-10(17)5-12(18)14(13)15(11)19/h1-7,16-18H:TZBJGXHYKVUXJN-UHFFFAOYSA-N", "pmid": "20211733", "mutation_s_field": "No", "author": "Trivella, D.B., Bleicher, L., Palmieri, L.C., Wiggers, H.J., Montanari, C.A., Kelly, J.W., Lima, L.M., Foguel, D., Polikarpov, I.", "pdb_id": "3KGU", "amyloid_non_amyloid": "Non-amyloid", "inchi_key": "TZBJGXHYKVUXJN-UHFFFAOYSA-N%%TZBJGXHYKVUXJN-UHFFFAOYSA-N", "ligand_name": "GENISTEIN%%GENISTEIN", "ligand_formula": "C15 H10 O5%%C15 H10 O5", "ligand_id": "GEN%%GEN", "r_value_free": "0.23399999", "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": "TRANSPORT PROTEIN", "reference": "J Struct Biol. 2010 Jun;170(3):522-31.", "length": "127", "entry": "S-0263"}