Structure of PDB 7q9l Chain B Binding Site BS01

Receptor Information

>7q9l Chain B (length=115) Species: 9606 (Homo sapiens)

PLMVKVLDAVRGSPAINVAVHVFRKAADDTWEPFASGKTSESGELHGLTT
EEEFVEGIYKVEIDTKSYWKALGISPFHEHAEVVFTANDSGPRRYTIAAL
LSPYSYSTTAVVTNP

Ligand information

• Ligand ID: 9RJ
• InChI: InChI=1S/C18H14O2/c19-17-11-9-13(12-18(17)20)8-10-15-6-3-5-14-4-1-2-7-16(14)15/h1-12,19-20H/b10-8+
• InChIKey: XOIWJLBRXWVWJJ-CSKARUKUSA-N
• SMILES:
  CACTVS 3.385: Oc1ccc(C=Cc2cccc3ccccc23)cc1O
  OpenEye OEToolkits 2.0.7: c1ccc2c(c1)cccc2C=Cc3ccc(c(c3)O)O
  OpenEye OEToolkits 2.0.7: c1ccc2c(c1)cccc2/C=C/c3ccc(c(c3)O)O
  CACTVS 3.385: Oc1ccc(\C=C\c2cccc3ccccc23)cc1O
• Formula: C18 H14 O2
• Name: 4-[(~{E})-2-naphthalen-1-ylethenyl]benzene-1,2-diol
• PDB chain: 7q9l Chain B Residue 201

Receptor-Ligand Complex Structure

Structure summary

• PDB: 7q9l Transthyretin Binding Mode Dichotomy of Fluorescent trans -Stilbene Ligands.
• Resolution: 1.45 Å
• Binding residue (original residue number in PDB): K15 L17 L110
• Binding residue (residue number reindexed from 1): K5 L7 L100
• 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:7q9l, PDBe:7q9l, PDBj:7q9l
• PDBsum: 7q9l
• PubMed: 36780206
• UniProt: P02766|TTHY_HUMAN Transthyretin (Gene Name=TTR)