{"resolution": "1.35", "ligand_mw": "92.09%%94.97%%22.99%%94.97", "secondary_structure": "KCPLMVKVLDAVRGSPAINVAVHVFRKAADDTWEPFASGKTSESGELHGLTTEEEFVEGIYKVEIDTKSYWKALGISPFHEHAPVVFTANDSGPRRYTIAALLSPYSYSTTAVVTNPKEHHHHHH#CCCEEEEEEETTTTEECTTCEEEEEEECTTSCEEEEEEEECCTTSEECCSCCTTTCCSEEEEEEECHHHHHHHTTCCCCEEEEEEEEEECCSSSCEEEEEEEEETTEEEEEEEEECCCCCCCCCC&KCPLMVKVLDAVRGSPAINVAVHVFRKAADDTWEPFASGKTSESGELHGLTTEEEFVEGIYKVEIDTKSYWKALGISPFHEHAPVVFTANDSGPRRYTIAALLSPYSYSTTAVVTNPKEHHHHHH#CCCEEEEEEETTTTEECTTCEEEEEEECTTSCEEEEEEEECCTTSEECCSCCTTTCCSEEEEEEECHHHHHHHTTCCCSEEEEEEEEEESTTSCCEEEEEEEEETTEEEEEEEEECCCCCCCCCC", "inchi": "InChI=1S/C3H8O3/c4-1-3(6)2-5/h3-6H,1-2H2%%InChI=1S/H3O4P/c1-5(2,3)4/h(H3,1,2,3,4)/p-3%%InChI=1S/Na/q+1%%InChI=1S/H3O4P/c1-5(2,3)4/h(H3,1,2,3,4)/p-3", "method": "X-RAY DIFFRACTION", "ec_number": "", "uniprot_ac": "P02766", "remarks": "Crystal Structure of Human Transthyretin Glu92Pro Mutant", "description": "They identify Beta-strands F and H as necessary for TTR aggregation. Based on the crystal structures of these segments, they designed two non-natural peptide inhibitors that block aggregation. This work provides the first characterization of peptide inhibitors for TTR aggregation, establishing a novel therapeutic strategy.", "type": "Protein", "ligand_smiles": "C(C(CO)O)O%%[O-]P(=O)([O-])[O-]%%[Na+]%%[O-]P(=O)([O-])[O-]", "chain_id": "A%%A%%B%%B", "species": "Homo sapiens", "keyword": "Transthyretin", "ligstr": "GOL:A:C3 H8 O3:92.09:GLYCEROL:C(C(CO)O)O:InChI=1S/C3H8O3/c4-1-3(6)2-5/h3-6H,1-2H2:PEDCQBHIVMGVHV-UHFFFAOYSA-N;PO4:A:O4 P -3:94.97:PHOSPHATE ION:[O-]P(=O)([O-])[O-]:InChI=1S/H3O4P/c1-5(2,3)4/h(H3,1,2,3,4)/p-3:NBIIXXVUZAFLBC-UHFFFAOYSA-K;nan:B:Na 1:22.99:SODIUM ION:[Na+]:InChI=1S/Na/q+1:FKNQFGJONOIPTF-UHFFFAOYSA-N;PO4:B:O4 P -3:94.97:PHOSPHATE ION:[O-]P(=O)([O-])[O-]:InChI=1S/H3O4P/c1-5(2,3)4/h(H3,1,2,3,4)/p-3:NBIIXXVUZAFLBC-UHFFFAOYSA-K", "pmid": "26459562", "mutation_s_field": "E92P", "author": "Saelices, L., Johnson, L.M., Liang, W.Y., Sawaya, M.R., Cascio, D., Ruchala, P., Whitelegge, J., Jiang, L., Riek, R., Eisenberg, D.S.", "pdb_id": "4TLS", "amyloid_non_amyloid": "Amyloid", "inchi_key": "PEDCQBHIVMGVHV-UHFFFAOYSA-N%%NBIIXXVUZAFLBC-UHFFFAOYSA-K%%FKNQFGJONOIPTF-UHFFFAOYSA-N%%NBIIXXVUZAFLBC-UHFFFAOYSA-K", "ligand_name": "GLYCEROL%%PHOSPHATE ION%%SODIUM ION%%PHOSPHATE ION", "ligand_formula": "C3 H8 O3%%O4 P -3%%Na 1%%O4 P -3", "ligand_id": "GOL%%PO4%%nan%%PO4", "r_value_free": "0.192", "protein_name": "Transthyretin", "gene_names": "TTR, PALB", "global_stoichiometry": "Homo 4-mer - A4 ", "alternative_name": "ATTR, Prealbumin, TBPA", "peptide_protein_sequence": "chain-ID A: KCPLMVKVLDAVRGSPAINVAVHVFRKAADDTWEPFASGKTSESGELHGLTTEEEFVEGIYKVEIDTKSYWKALGISPFHEHAPVVFTANDSGPRRYTIAALLSPYSYSTTAVVTNPKEHHHHHH; chain-ID B: KCPLMVKVLDAVRGSPAINVAVHVFRKAADDTWEPFASGKTSESGELHGLTTEEEFVEGIYKVEIDTKSYWKALGISPFHEHAPVVFTANDSGPRRYTIAALLSPYSYSTTAVVTNPKEHHHHHH", "pdb_classification": "TRANSPORT PROTEIN", "reference": "J Biol Chem. 2015 Nov 27;290(48):28932-43.", "length": "125", "entry": "S-0393"}