{"method": "X-RAY DIFFRACTION", "mutation_s_field": "No", "ec_number": "", "description": "#Ligand: FLUFENAMIC ACID (2-[[3-(TRIFLUOROMETHYL)PHENYL]AMINO] BENZOIC ACID)# Flufenamic acid (Flu) inhibits the conformational changes of TTR associated with amyloid fibril formation. The crystal structure of TTR complexed with Flu demonstrates that Flu mediates intersubunit hydrophobic interactions and intersubunit hydrogen bonds that stabilize the normal tetrameric fold of TTR.", "ligstr": "FLF:A:C14 H10 F3 N O2:281.23:2-[[3-(TRIFLUOROMETHYL)PHENYL]AMINO] BENZOIC ACID:c1ccc(c(c1)C(=O)O)Nc2cccc(c2)C(F)(F)F:InChI=1S/C14H10F3NO2/c15-14(16,17)9-4-3-5-10(8-9)18-12-7-2-1-6-11(12)13(19)20/h1-8,18H,(H,19,20):LPEPZBJOKDYZAD-UHFFFAOYSA-N;FLF:B:C14 H10 F3 N O2:281.23:2-[[3-(TRIFLUOROMETHYL)PHENYL]AMINO] BENZOIC ACID:c1ccc(c(c1)C(=O)O)Nc2cccc(c2)C(F)(F)F:InChI=1S/C14H10F3NO2/c15-14(16,17)9-4-3-5-10(8-9)18-12-7-2-1-6-11(12)13(19)20/h1-8,18H,(H,19,20):LPEPZBJOKDYZAD-UHFFFAOYSA-N", "pmid": "9789022", "remarks": "Inhibiting transthyretin conformational changes that lead to amyloid fibril formation", "amyloid_non_amyloid": "Non-amyloid", "type": "Inhibitor complex", "inchi": "InChI=1S/C14H10F3NO2/c15-14(16,17)9-4-3-5-10(8-9)18-12-7-2-1-6-11(12)13(19)20/h1-8,18H,(H,19,20)%%InChI=1S/C14H10F3NO2/c15-14(16,17)9-4-3-5-10(8-9)18-12-7-2-1-6-11(12)13(19)20/h1-8,18H,(H,19,20)", "resolution": "2.0", "species": "Homo sapiens", "secondary_structure": "GPTGTGESKCPLMVKVLDAVRGSPAINVAVHVFRKAADDTWEPFASGKTSESGELHGLTTEEEFVEGIYKVEIDTKSYWKALGISPFHEHAEVVFTANDSGPRRYTIAALLSPYSYSTTAVVTNPKE#CCCCCCCCCCCEEEEEEETTTTEECCSCEEEEEEECTTSCEEEEEEEECCTTSEECCSCCTTTCCSEEEEEEECHHHHHHHTTCCCSEEEEEEEEEESTTSCCCEEEEEEEETTEEEEEEEECCCCC&GPTGTGESKCPLMVKVLDAVRGSPAINVAVHVFRKAADDTWEPFASGKTSESGELHGLTTEEEFVEGIYKVEIDTKSYWKALGISPFHEHAEVVFTANDSGPRRYTIAALLSPYSYSTTAVVTNPKE#CCCCCCCCCCCEEEEEEETTTTEECTTCEEEEEEECTTSCEEEEEEEECCTTSEECCSCCTTTCCSEEEEEEECHHHHHHHTTCCCSEEEEEEEEEECTTSCCCEEEEEEEETTEEEEEEEECCCCC", "chain_id": "A%%B", "gene_names": "TTR, PALB", "r_value_free": "0.251", "pdb_id": "1BM7", "reference": "Proc Natl Acad Sci U S A. 1998 Oct 27;95(22):12956-60", "keyword": "PROTEIN (TRANSTHYRETIN)", "protein_name": "Transthyretin", "ligand_formula": "C14 H10 F3 N O2%%C14 H10 F3 N O2", "peptide_protein_sequence": "chain-ID A: GPTGTGESKCPLMVKVLDAVRGSPAINVAVHVFRKAADDTWEPFASGKTSESGELHGLTTEEEFVEGIYKVEIDTKSYWKALGISPFHEHAEVVFTANDSGPRRYTIAALLSPYSYSTTAVVTNPKE; chain-ID B: GPTGTGESKCPLMVKVLDAVRGSPAINVAVHVFRKAADDTWEPFASGKTSESGELHGLTTEEEFVEGIYKVEIDTKSYWKALGISPFHEHAEVVFTANDSGPRRYTIAALLSPYSYSTTAVVTNPKE", "entry": "S-0009", "length": "127", "uniprot_ac": "P02766", "author": "Peterson, S.A., Klabunde, T., Lashuel, H.A., Purkey, H., Sacchettini, J.C., Kelly, J.W.", "ligand_smiles": "c1ccc(c(c1)C(=O)O)Nc2cccc(c2)C(F)(F)F%%c1ccc(c(c1)C(=O)O)Nc2cccc(c2)C(F)(F)F", "ligand_mw": "281.23%%281.23", "alternative_name": "ATTR, Prealbumin, TBPA", "ligand_name": "2-[[3-(TRIFLUOROMETHYL)PHENYL]AMINO] BENZOIC ACID%%2-[[3-(TRIFLUOROMETHYL)PHENYL]AMINO] BENZOIC ACID", "pdb_classification": "SIGNALING PROTEIN", "global_stoichiometry": "Homo 4-mer - A4 ", "inchi_key": "LPEPZBJOKDYZAD-UHFFFAOYSA-N%%LPEPZBJOKDYZAD-UHFFFAOYSA-N", "ligand_id": "FLF%%FLF"}