{"method": "X-RAY DIFFRACTION", "mutation_s_field": "C10 sulfonated", "ec_number": "", "description": "TTR is a protein composed of four identical subunits where each monomer has a single  chemically modified cysteine residue (Cys10), There is evidence that these chemical modifications of the SH group alter the stability and the amyloidogenic potential of the protein. The sulfonated form was found to enhance the stability of the native conformation of TTR, avoiding misassembly of the protein leading to amyloid. Consequently, the potential treatment of TTR-type amyloidosis by sulfite has been suggested. 3D structure provides structural insight for the stabilizing effect of sulfite. Each subunit has a Beta-sandwich conformation, with two four stranded Beta-pleated sheets (DAGH and CBEF) and a small Alpha-helix between strands. The sulfonated cysteines have two sulfite oxygens involved in intramonomer hydrogen bonds that bridge Cys10, the amino acid immediately before Beta-strand A, to the amino acids immediately after the edge Beta-strand D. ", "ligstr": "CSU:A:C3 H7 N O5 S2:201.22:CYSTEINE-S-SULFONIC ACID:C([C@@H](C(=O)O)N)SS(=O)(=O)O:InChI=1S/C3H7NO5S2/c4-2(3(5)6)1-10-11(7,8)9/h2H,1,4H2,(H,5,6)(H,7,8,9)/t2-/m0/s1:NOKPBJYHPHHWAN-REOHCLBHSA-N;CSU:B:C3 H7 N O5 S2:201.22:CYSTEINE-S-SULFONIC ACID:C([C@@H](C(=O)O)N)SS(=O)(=O)O:InChI=1S/C3H7NO5S2/c4-2(3(5)6)1-10-11(7,8)9/h2H,1,4H2,(H,5,6)(H,7,8,9)/t2-/m0/s1:NOKPBJYHPHHWAN-REOHCLBHSA-N;SO4:B:O4 S -2:96.06:SULFATE ION:[O-]S(=O)(=O)[O-]:InChI=1S/H2O4S/c1-5(2,3)4/h(H2,1,2,3,4)/p-2:QAOWNCQODCNURD-UHFFFAOYSA-L", "pmid": "17175208", "remarks": "Crystal structure of Cys10 sulfonated transthyretin", "amyloid_non_amyloid": "Non-amyloid", "type": "Protein", "inchi": "InChI=1S/C3H7NO5S2/c4-2(3(5)6)1-10-11(7,8)9/h2H,1,4H2,(H,5,6)(H,7,8,9)/t2-/m0/s1%%InChI=1S/C3H7NO5S2/c4-2(3(5)6)1-10-11(7,8)9/h2H,1,4H2,(H,5,6)(H,7,8,9)/t2-/m0/s1%%InChI=1S/H2O4S/c1-5(2,3)4/h(H2,1,2,3,4)/p-2", "resolution": "1.45", "species": "Homo sapiens", "secondary_structure": "GPTGTGESKCPLMVKVLDAVRGSPAINVAVHVFRKAADDTWEPFASGKTSESGELHGLTTEEEFVEGIYKVEIDTKSYWKALGISPFHEHAEVVFTANDSGPRRYTIAALLSPYSYSTTAVVTNPKE#CCCCCCCCCCCEEEEEEETTTTEECTTCEEEEEEECTTSCEEEEEEEECCTTSEECCSCCTTTCCSEEEEEEECHHHHHHHTTCCCSEEEEEEEEEESTTSCCEEEEEEEEETTEEEEEEEEECCCC&GPTGTGESKCPLMVKVLDAVRGSPAINVAVHVFRKAADDTWEPFASGKTSESGELHGLTTEEEFVEGIYKVEIDTKSYWKALGISPFHEHAEVVFTANDSGPRRYTIAALLSPYSYSTTAVVTNPKE#CCCCCCCCCCCEEEEEEETTTTEECTTCEEEEEEECTTSCEEEEEEEECCTTSEECCSCCTTTCCSEEEEEEECHHHHHHHTTCCCSEEEEEEEEEECSSSCSEEEEEEEEETTEEEEEEEEECCCC", "chain_id": "A%%B%%B", "gene_names": "TTR, PALB", "r_value_free": "0.198", "pdb_id": "2H4E", "reference": "Biochim Biophys Acta. 2007 Jan;1774(1):59-64. Epub  2006 Nov 6", "keyword": "Transthyretin", "protein_name": "Transthyretin", "ligand_formula": "C3 H7 N O5 S2%%C3 H7 N O5 S2%%O4 S -2", "peptide_protein_sequence": "chain-ID A: GPTGTGESKCPLMVKVLDAVRGSPAINVAVHVFRKAADDTWEPFASGKTSESGELHGLTTEEEFVEGIYKVEIDTKSYWKALGISPFHEHAEVVFTANDSGPRRYTIAALLSPYSYSTTAVVTNPKE; chain-ID B: GPTGTGESKCPLMVKVLDAVRGSPAINVAVHVFRKAADDTWEPFASGKTSESGELHGLTTEEEFVEGIYKVEIDTKSYWKALGISPFHEHAEVVFTANDSGPRRYTIAALLSPYSYSTTAVVTNPKE", "entry": "S-0110", "length": "127", "uniprot_ac": "P02766", "author": "Gales, L., Saraiva, M.J., Damas, A.M.", "ligand_smiles": "C([C@@H](C(=O)O)N)SS(=O)(=O)O%%C([C@@H](C(=O)O)N)SS(=O)(=O)O%%[O-]S(=O)(=O)[O-]", "ligand_mw": "201.22%%201.22%%96.06", "alternative_name": "ATTR, Prealbumin, TBPA", "ligand_name": "CYSTEINE-S-SULFONIC ACID%%CYSTEINE-S-SULFONIC ACID%%SULFATE ION", "pdb_classification": "TRANSPORT PROTEIN", "global_stoichiometry": "Homo 4-mer - A4 ", "inchi_key": "NOKPBJYHPHHWAN-REOHCLBHSA-N%%NOKPBJYHPHHWAN-REOHCLBHSA-N%%QAOWNCQODCNURD-UHFFFAOYSA-L", "ligand_id": "CSU%%CSU%%SO4"}