{"resolution": "2.0", "ligand_mw": "78.13%%78.13", "secondary_structure": "GPTGTGESKCPLMVKVLDAVRGSPAINVAVHVFRKAADDTWEPFASGKTSESGELHGLTTEEEFVEGIYKVEIDTKSYWKALGISPFHEHAEVVFTANDSGPRRYTIAALLSPCSYSTTAVVTNPKE#CCCCCCCCCCCEEEEEEETTTTEECCSCEEEEEEECTTSCEEEEEEEECCTTSEECCSCCTTTCCSEEEEEEECHHHHHHTTTCCCSBSCEEEEEEESTTSCCEEEEEEEEETTEEEEEEEEECCCC&GPTGTGESKCPLMVKVLDAVRGSPAINVAVHVFRKAADDTWEPFASGKTSESGELHGLTTEEEFVEGIYKVEIDTKSYWKALGISPFHEHAEVVFTANDSGPRRYTIAALLSPCSYSTTAVVTNPKE#CCCCCCCCCCCEEEEEEETTTTEECCSCEEEEEEECTTSCEEEEEEEECCTTSEECCSCCTTTCCSEEEEEEECHHHHHHHTTCCCSBSCEEEEEEECSSSCSEEEEEEEEETTEEEEEEEEECCCC", "inchi": "InChI=1S/C2H6OS/c3-1-2-4/h3-4H,1-2H2%%InChI=1S/C2H6OS/c3-1-2-4/h3-4H,1-2H2", "method": "X-RAY DIFFRACTION", "ec_number": "", "uniprot_ac": "P02766", "remarks": "Disulfide-Bond Formation in the Transthyretin Mutant Y114C Prevents Amyloid Fibril Formation, CRYO temperature", "description": "Crystal structure of the transthyretin mutant TTR Y114C-data collected at cryo temperature. The Y114C mutation in human transthyretin (TTR) is associated with a particular form of familial amyloidotic polyneuropathy. In vitro ATTR Y114C mutant exists in three forms: one unstable but native like tetrameric form, one highly aggregated form in which a network of disulfide bonds is formed, and one fibrillar form. The disulfide-linked aggregates and the fibrillar form of the mutant can be induced by heat induction under nonreduced and reduced conditions, respectively. Both forms are recognized by the amyloid specific antibody MAB(39-44). ATTR Y114C mutant associates into normal tetramers, but starts forming aggregates at ?37 \u00c2\u00b0C.", "type": "Protein", "ligand_smiles": "C(CS)O%%C(CS)O", "chain_id": "A%%B", "species": "Homo sapiens", "keyword": "TRANSTHYRETIN", "ligstr": "BME:A:C2 H6 O S:78.13:BETA-MERCAPTOETHANOL:C(CS)O:InChI=1S/C2H6OS/c3-1-2-4/h3-4H,1-2H2:DGVVWUTYPXICAM-UHFFFAOYSA-N;BME:B:C2 H6 O S:78.13:BETA-MERCAPTOETHANOL:C(CS)O:InChI=1S/C2H6OS/c3-1-2-4/h3-4H,1-2H2:DGVVWUTYPXICAM-UHFFFAOYSA-N", "pmid": "12403615", "mutation_s_field": "Y114C", "author": "Eneqvist, T., Olofsson, A., Ando, Y., Miyakawa, T., Katsuragi, S., Jass, J., Lundgren, E., Sauer-Eriksson, A.E.", "pdb_id": "1IIK", "amyloid_non_amyloid": "Non-amyloid", "inchi_key": "DGVVWUTYPXICAM-UHFFFAOYSA-N%%DGVVWUTYPXICAM-UHFFFAOYSA-N", "ligand_name": "BETA-MERCAPTOETHANOL%%BETA-MERCAPTOETHANOL", "ligand_formula": "C2 H6 O S%%C2 H6 O S", "ligand_id": "BME%%BME", "r_value_free": "0.239", "protein_name": "Transthyretin", "gene_names": "TTR, PALB", "global_stoichiometry": "Homo 4-mer - A4 ", "alternative_name": "ATTR, Prealbumin, TBPA", "peptide_protein_sequence": "chain-ID A: GPTGTGESKCPLMVKVLDAVRGSPAINVAVHVFRKAADDTWEPFASGKTSESGELHGLTTEEEFVEGIYKVEIDTKSYWKALGISPFHEHAEVVFTANDSGPRRYTIAALLSPCSYSTTAVVTNPKE; chain-ID B: GPTGTGESKCPLMVKVLDAVRGSPAINVAVHVFRKAADDTWEPFASGKTSESGELHGLTTEEEFVEGIYKVEIDTKSYWKALGISPFHEHAEVVFTANDSGPRRYTIAALLSPCSYSTTAVVTNPKE", "pdb_classification": "TRANSPORT PROTEIN", "reference": "Biochemistry. 2002 Nov 5;41(44):13143-51", "length": "127", "entry": "S-0034"}