Structure of PDB 1dvy Chain A Binding Site BS01

Receptor Information

>1dvy Chain A (length=115) Species: 9606 (Homo sapiens)

CPLMVKVLDAVRGSPAINVAVHVFRKAADDTWEPFASGKTSESGELHGLT
TEEQFVEGIYKVEIDTKSYWKALGISPFHEHAEVVFTANDSGPRRYTIAA
LLSPYSYSTTAVVTN

Ligand information

• Ligand ID: BPD
• InChI: InChI=1S/C21H12F3NO5/c22-21(23,24)11-4-1-5-12(10-11)25-15-8-2-6-13(19(26)27)17(15)30-18-14(20(28)29)7-3-9-16(18)25/h1-10H,(H,26,27)(H,28,29)
• InChIKey: NQOOJFXBGLOGTC-UHFFFAOYSA-N
• SMILES:
  OpenEye OEToolkits 1.5.0: c1cc(cc(c1)N2c3cccc(c3Oc4c2cccc4C(=O)O)C(=O)O)C(F)(F)F
  ACDLabs 10.04: FC(F)(F)c4cc(N1c3c(Oc2c1cccc2C(=O)O)c(ccc3)C(=O)O)ccc4
  CACTVS 3.341: OC(=O)c1cccc2N(c3cccc(c3)C(F)(F)F)c4cccc(C(O)=O)c4Oc12
• Formula: C21 H12 F3 N O5
• Name: N-(M-TRIFLUOROMETHYLPHENYL) PHENOXAZINE-4,6-DICARBOXYLIC ACID
• DrugBank: DB02698
• ZINC: ZINC000003873792
• PDB chain: 1dvy Chain A Residue 125

Receptor-Ligand Complex Structure

Structure summary

• PDB: 1dvy Rational design of potent human transthyretin amyloid disease inhibitors.
• Resolution: 1.9 Å
• Binding residue (original residue number in PDB): M13 K15 L17 T106
• Binding residue (residue number reindexed from 1): M4 K6 L8 T97
• Annotation score: 4

Gene Ontology

Molecular Function

• GO:0005179 hormone activity
• GO:0005515 protein binding
• GO:0042802 identical protein binding
• GO:0070324 thyroid hormone binding

Biological Process

• GO:0006144 purine nucleobase metabolic process
• GO:0007165 signal transduction

Cellular Component

• GO:0005576 extracellular region
• GO:0005615 extracellular space
• GO:0005737 cytoplasm
• GO:0035578 azurophil granule lumen
• GO:0070062 extracellular exosome

External links

• PDB: RCSB:1dvy, PDBe:1dvy, PDBj:1dvy
• PDBsum: 1dvy
• PubMed: 10742177
• UniProt: P02766|TTHY_HUMAN Transthyretin (Gene Name=TTR)