2024-01-13_00000030
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ligand
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8C86
Crystal structure of human transthyretin in complex with 3-O-methyltolcapone analogue 2;
X-ray diffraction 1.10Å
Protein #1
127 residues (91% resolved)
Raw Sequence ...
GPTGTGESKCPLMVKVLDAVRGSPAINVAVHVFRKAADDTWEPFASGKTSESGELHGLTTEEEFVEGIYKVEIDTKSYWKALGISPFHEHAEVVFTANDSGPRRYTIAALLSPYSYSTTAVVTNPKE
Canonical Sequence ...
GPTGTGESKCPLMVKVLDAVRGSPAINVAVHVFRKAADDTWEPFASGKTSESGELHGLTTEEEFVEGIYKVEIDTKSYWKALGISPFHEHAEVVFTANDSGPRRYTIAALLSPYSYSTTAVVTNPKE
Non polymer #2
TQ0
InChI=1S/C16H15NO5/c1-9-4-5-12(10(2)6-9)15(18)11-7-13(17(20)21)16(19)14(8-11)22-3/h4-8H,1-3H3,(H-,18,19,20,21)/p+1
InChI=1S/C16H15NO5/c1-9-4-5-12(10(2)6-9)15(18)11-7-13(17(20)21)16(19)14(8-11)22-3/h4-8H,1-3H3,(H-,18,19,20,21)/p+1
SMILES: Cc1ccc(c(c1)C)C(=O)c2cc(c(c(c2)OC)O)[N+](=O)O
Cc1ccc(c(c1)C)C(=O)c2cc(c(c(c2)OC)O)[N+](=O)O
Biounit #1
homo-tetramer
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Model
Reference
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