Structure of PDB 2f7i Chain A Binding Site BS01

Receptor Information
>2f7i Chain A (length=115) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
CPLMVKVLDAVRGSPAINVAVHVFRKAADDTWEPFASGKTSESGELHGLT
TEEEFVEGIYKVEIDTKSYWKALGISPFHEHAEVVFTANDSGPRRYTIAA
LLSPYSYSTTAVVTN
Ligand information
Ligand ID26C
InChIInChI=1S/C13H8F2O2/c14-10-2-1-3-11(15)12(10)8-4-6-9(7-5-8)13(16)17/h1-7H,(H,16,17)
InChIKeyCWWIIKLXUPZDOG-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341OC(=O)c1ccc(cc1)c2c(F)cccc2F
ACDLabs 10.04Fc2cccc(F)c2c1ccc(C(=O)O)cc1
OpenEye OEToolkits 1.5.0c1cc(c(c(c1)F)c2ccc(cc2)C(=O)O)F
FormulaC13 H8 F2 O2
Name2',6'-DIFLUOROBIPHENYL-4-CARBOXYLIC ACID
ChEMBLCHEMBL122055
DrugBankDB06935
ZINCZINC000016052010
PDB chain2f7i Chain A Residue 326 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB2f7i Diflunisal Analogues Stabilize the Native State of Transthyretin. Potent Inhibition of Amyloidogenesis.
Resolution1.6 Å
Binding residue
(original residue number in PDB)		K15 L17 A108 L110 S117
Binding residue
(residue number reindexed from 1)		K6 L8 A99 L101 S108
Annotation score1
Binding affinityBindingDB: Kd=72.5nM
Enzymatic activity
Enzyme Commision number ?
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

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:2f7i, PDBe:2f7i, PDBj:2f7i
PDBsum2f7i
PubMed14711308
UniProtP02766|TTHY_HUMAN Transthyretin (Gene Name=TTR)

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