{"ligand_smiles": "c1cc2c3cccc(c3oc2c(c1)C(=O)O)C(=O)O", "ligand_id": "DBF", "ligstr": "DBF:B:C14 H8 O5:256.21:DIBENZOFURAN-4,6-DICARBOXYLIC ACID:c1cc2c3cccc(c3oc2c(c1)C(=O)O)C(=O)O:InChI=1S/C14H8O5/c15-13(16)9-5-1-3-7-8-4-2-6-10(14(17)18)12(8)19-11(7)9/h1-6H,(H,15,16)(H,17,18):HBBGSNOHAGNQRQ-UHFFFAOYSA-N", "ligand_name": "DIBENZOFURAN-4,6-DICARBOXYLIC ACID", "global_stoichiometry": "Homo 4-mer - A4 ", "chain_id": "B", "pmid": "10742177", "alternative_name": "ATTR, Prealbumin, TBPA", "pdb_classification": "HORMONE/GROWTH FACTOR", "amyloid_non_amyloid": "Non-amyloid", "reference": "Nat Struct Biol. 2000 Apr;7(4):312-21", "length": "124", "inchi_key": "HBBGSNOHAGNQRQ-UHFFFAOYSA-N", "pdb_id": "1DVU", "inchi": "InChI=1S/C14H8O5/c15-13(16)9-5-1-3-7-8-4-2-6-10(14(17)18)12(8)19-11(7)9/h1-6H,(H,15,16)(H,17,18)", "type": "Inhibitor complex", "gene_names": "TTR, PALB", "ligand_mw": "256.21", "species": "Homo sapiens", "entry": "S-0020", "mutation_s_field": "No", "author": "Klabunde, T., Petrassi, H.M., Oza, V.B., Raman, P., Kelly, J.W., Sacchettini, J.C.", "secondary_structure": "GPTGTGESKCPLMVKVLDAVRGSPAINVAVHVFRKAADDTWEPFASGKTSESGELHGLTTEEQFVEGIYKVEIDTKSYWKALGISPFHEHAEVVFTANDSGPRRYTIAALLSPYSYSTTAVVTN#CCCCCCCCCCCEEEEEEETTTTEECTTCEEEEEEECTTSCEEEEEEEECCTTSEECCSCCTTTCCSEEEEEEECHHHHHHHTTCCCSEEEEEEEEEESTTSCCEEEEEEEEETTEEEEEEEEEC&GPTGTGESKCPLMVKVLDAVRGSPAINVAVHVFRKAADDTWEPFASGKTSESGELHGLTTEEQFVEGIYKVEIDTKSYWKALGISPFHEHAEVVFTANDSGPRRYTIAALLSPYSYSTTAVVTN#CCCCCCCCCCCEEEEEEETTTTEECTTCEEEEEEECTTSCEEEEEEEECCTTSEECCSCCTTTCCSEEEEEEECHHHHHHHTTCCCSEEEEEEEEEECCCSSCCEEEEEEEETTEEEEEEEECC", "ec_number": "", "method": "X-RAY DIFFRACTION", "r_value_free": "0.22", "uniprot_ac": "P02766", "resolution": "1.9", "description": "The X-ray structure of TTR\u00e2\u20ac\u201cDDBF shows the DDBF binds, as predicted, to both hormone binding cavities at the dimer-dimer interface of TTR. The tricyclyic ring system was located between residues Lys 15, Val 17 and Ala 108 from two adjacent TTR subunits, stretching across the outer region of the hormone binding cavity from HBP-1 to HBP-1'. One of the carboxylate groups of DDBF formed hydrogen bond interactions with the amino groups of Lys 15 from two adjacent TTR subunits. Ser 117 and Thr 119 do not undergo the conformational changes observed in most other TTR\u00e2\u20ac\u201cinhibitor complexes.", "peptide_protein_sequence": "chain-ID A: GPTGTGESKCPLMVKVLDAVRGSPAINVAVHVFRKAADDTWEPFASGKTSESGELHGLTTEEQFVEGIYKVEIDTKSYWKALGISPFHEHAEVVFTANDSGPRRYTIAALLSPYSYSTTAVVTN; chain-ID B: GPTGTGESKCPLMVKVLDAVRGSPAINVAVHVFRKAADDTWEPFASGKTSESGELHGLTTEEQFVEGIYKVEIDTKSYWKALGISPFHEHAEVVFTANDSGPRRYTIAALLSPYSYSTTAVVTN", "protein_name": "Transthyretin", "keyword": "TRANSTHYRETIN", "remarks": "CRYSTAL STRUCTURE OF HUMAN TRANSTHYRETIN IN COMPLEX WITH DIBENZOFURAN-4,6-DICARBOXYLIC ACID", "ligand_formula": "C14 H8 O5"}