{"resolution": "1.7", "ligand_mw": "78.13%%78.13", "secondary_structure": "GPTGTGESKAPLMVKVLDAVRGSPAINVAVHVFRKAADDTWEPFASGKTSESGELHGLTTEEEFVEGIYKVEIDTKSYWKALGISPFHEHAEVVFTANDSGPRRYTIAALLSPCSYSTTAVVTNPKE#CCCCCCCCCCCEEEEEEETTTTEECTTCEEEEEEECTTSSEEEEEEEECCTTSEECCSCCTTTCCSEEEEEEECHHHHHHHTTCCCSEEEEEEEEEESTTSCCEEEEEEEEETTEEEEEEEEECCCC&GPTGTGESKAPLMVKVLDAVRGSPAINVAVHVFRKAADDTWEPFASGKTSESGELHGLTTEEEFVEGIYKVEIDTKSYWKALGISPFHEHAEVVFTANDSGPRRYTIAALLSPCSYSTTAVVTNPKE#CCCCCCCCCCCEEEEEEETTTTEECCSCEEEEEEECTTSCEEEEEEEECCTTSEECCSCCTTTCCSEEEEEEECHHHHHHHTTCCCSEEEEEEEEEECCSSSCEEEEEEEEETTEEEEEEEEECCCC", "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": "Cys114-linked dimers of transthyretin are compatible with amyloid formation", "description": "TTR Cys10Ala/Tyr114Cys double mutant was generated and characterized to deduce the role of intermolecular disulfide bridging in fibril formation. The results suggest that an intermolecular cysteine bridge at position 114 enhances the exposure of cysteine 10, thereby facilitating additional intermolecular cysteine assemblies. This dimeric molecule can form protofibrils indistinguishable from the fibrils formed under reducing conditions.", "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": "16185074", "mutation_s_field": "C10A/Y114C", "author": "Karlsson, A., Olofsson, A., Eneqvist, T., Sauer-Eriksson, A.E.", "pdb_id": "1IJN", "amyloid_non_amyloid": "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": "0.237", "protein_name": "Transthyretin", "gene_names": "TTR, PALB", "global_stoichiometry": "Homo 4-mer - A4", "alternative_name": "ATTR, Prealbumin, TBPA", "peptide_protein_sequence": "chain-ID A: GPTGTGESKAPLMVKVLDAVRGSPAINVAVHVFRKAADDTWEPFASGKTSESGELHGLTTEEEFVEGIYKVEIDTKSYWKALGISPFHEHAEVVFTANDSGPRRYTIAALLSPCSYSTTAVVTNPKE; chain-ID B: GPTGTGESKAPLMVKVLDAVRGSPAINVAVHVFRKAADDTWEPFASGKTSESGELHGLTTEEEFVEGIYKVEIDTKSYWKALGISPFHEHAEVVFTANDSGPRRYTIAALLSPCSYSTTAVVTNPKE", "pdb_classification": "TRANSPORT PROTEIN", "reference": "Biochemistry. 2005 Oct 4;44(39):13063-70", "length": "127", "entry": "S-0035"}