2024-01-13_00000029
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ligand
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8C85
Crystal structure of human transthyretin in complex with 3-O-methyltolcapone analogue 1;
X-ray diffraction 1.19Å
Protein #1
127 residues (91% resolved)
Raw Sequence ...
GPTGTGESKCPLMVKVLDAVRGSPAINVAVHVFRKAADDTWEPFASGKTSESGELHGLTTEEEFVEGIYKVEIDTKSYWKALGISPFHEHAEVVFTANDSGPRRYTIAALLSPYSYSTTAVVTNPKE
Canonical Sequence ...
GPTGTGESKCPLMVKVLDAVRGSPAINVAVHVFRKAADDTWEPFASGKTSESGELHGLTTEEEFVEGIYKVEIDTKSYWKALGISPFHEHAEVVFTANDSGPRRYTIAALLSPYSYSTTAVVTNPKE
Non polymer #2
U1F
InChI=1S/C16H15NO5/c1-9-4-10(2)6-11(5-9)15(18)12-7-13(17(20)21)16(19)14(8-12)22-3/h4-8H,1-3H3,(H-,18,19,20,21)/p+1
InChI=1S/C16H15NO5/c1-9-4-10(2)6-11(5-9)15(18)12-7-13(17(20)21)16(19)14(8-12)22-3/h4-8H,1-3H3,(H-,18,19,20,21)/p+1
SMILES: Cc1cc(cc(c1)C(=O)c2cc(c(c(c2)OC)O)[N+](=O)O)C
Cc1cc(cc(c1)C(=O)c2cc(c(c(c2)OC)O)[N+](=O)O)C
Biounit #1
homo-tetramer
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Model
Reference
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