{"resolution": "1.44", "ligand_mw": "22.99%%35.45", "secondary_structure": "KCPLMVKVLDAVRGSPAINVAVHVFRKAADDTWEPFASGKTSESGELHGLTTEEEFVEGIYKVEIDTKSYWKALGIPPFHEHAEVVFTANDSGPRRYTIAALLSPYSYSTTAVVTNPKEHHHHHH#CCCEEEEEEETTTTEECTTCEEEEEEECTTSCEEEEEEEECCTTSEECCSCCTTTCCSEEEEEEECHHHHHHHHTCCCSEEEEEEEEEECCSSSCEEEEEEEEETTEEEEEEEEECCCCCCCCCC&KCPLMVKVLDAVRGSPAINVAVHVFRKAADDTWEPFASGKTSESGELHGLTTEEEFVEGIYKVEIDTKSYWKALGIPPFHEHAEVVFTANDSGPRRYTIAALLSPYSYSTTAVVTNPKEHHHHHH#CCCEEEEEEETTTTEECTTCEEEEEEECTTSCEEEEEEEECCTTSEECCSCCTTTCCSEEEEEEECHHHHHHHTTCCCSEEEEEEEEEESTTSCCEEEEEEEEETTEEEEEEEEECCCCCCCCCC", "inchi": "InChI=1S/Na/q+1%%InChI=1S/ClH/h1H/p-1", "method": "X-RAY DIFFRACTION", "ec_number": "", "uniprot_ac": "P02766", "remarks": "Crystal Structure of Human Transthyretin Ser85Pro 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": "[Na+]%%[Cl-]", "chain_id": "A%%B", "species": "Homo sapiens", "keyword": "Transthyretin", "ligstr": "nan:A:Na 1:22.99:SODIUM ION:[Na+]:InChI=1S/Na/q+1:FKNQFGJONOIPTF-UHFFFAOYSA-N;CL:B:Cl -1:35.45:CHLORIDE ION:[Cl-]:InChI=1S/ClH/h1H/p-1:VEXZGXHMUGYJMC-UHFFFAOYSA-M", "pmid": "26459562", "mutation_s_field": "S85P", "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": "4TL5", "amyloid_non_amyloid": "Amyloid", "inchi_key": "FKNQFGJONOIPTF-UHFFFAOYSA-N%%VEXZGXHMUGYJMC-UHFFFAOYSA-M", "ligand_name": "SODIUM ION%%CHLORIDE ION", "ligand_formula": "Na 1%%Cl -1", "ligand_id": "nan%%CL", "r_value_free": "0.198", "protein_name": "Transthyretin", "gene_names": "TTR, PALB", "global_stoichiometry": "Homo 4-mer - A4 ", "alternative_name": "ATTR, Prealbumin, TBPA", "peptide_protein_sequence": "chain-ID A: KCPLMVKVLDAVRGSPAINVAVHVFRKAADDTWEPFASGKTSESGELHGLTTEEEFVEGIYKVEIDTKSYWKALGIPPFHEHAEVVFTANDSGPRRYTIAALLSPYSYSTTAVVTNPKEHHHHHH; chain-ID B: KCPLMVKVLDAVRGSPAINVAVHVFRKAADDTWEPFASGKTSESGELHGLTTEEEFVEGIYKVEIDTKSYWKALGIPPFHEHAEVVFTANDSGPRRYTIAALLSPYSYSTTAVVTNPKEHHHHHH", "pdb_classification": "TRANSPORT PROTEIN", "reference": "J Biol Chem. 2015 Nov 27;290(48):28932-43.", "length": "125", "entry": "S-0391"}