Structure of PDB 6d0w Chain B Binding Site BS01

Receptor Information

>6d0w Chain B (length=115) Species: 9606 (Homo sapiens)

CPLMVKVLDAVRGSPAINVAVHVFRKAADDTWEPFASGKTSESGELHGLT
TEEQFVEGIYKVEIDTKSYWKALGISPFHEHAEVVFTANDSGPRRYTIAA
LLSPYSYSTTAVVTN

Ligand information

• Ligand ID: FQ7
• InChI: InChI=1S/C13H9Cl2NO2/c14-8-5-9(15)7-10(6-8)16-12-4-2-1-3-11(12)13(17)18/h1-7,16H,(H,17,18)
• InChIKey: FNGSQOJHNAYHAT-UHFFFAOYSA-N
• SMILES:
  ACDLabs 12.01: c2ccc(C(O)=O)c(Nc1cc(Cl)cc(c1)Cl)c2
  CACTVS 3.385: OC(=O)c1ccccc1Nc2cc(Cl)cc(Cl)c2
  OpenEye OEToolkits 2.0.6: c1ccc(c(c1)C(=O)O)Nc2cc(cc(c2)Cl)Cl
• Formula: C13 H9 Cl2 N O2
• Name: 2-[(3,5-dichlorophenyl)amino]benzoic acid
• ChEMBL: CHEMBL22876
• ZINC: ZINC000012956293
• PDB chain: 6d0w Chain B Residue 201

Receptor-Ligand Complex Structure

Structure summary

• PDB: 6d0w Structural Analysis of Human Transthyretin Analgesic Inhibitor Complex
• Resolution: 1.7 Å
• Binding residue (original residue number in PDB): K15 A108 S117 T118 T119
• Binding residue (residue number reindexed from 1): K6 A99 S108 T109 T110
• Annotation score: 1

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:6d0w, PDBe:6d0w, PDBj:6d0w
• PDBsum: 6d0w
• UniProt: P02766|TTHY_HUMAN Transthyretin (Gene Name=TTR)