Structure of PDB 1dvz Chain A Binding Site BS01

Receptor Information
>1dvz 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
TEEQFVEGIYKVEIDTKSYWKALGISPFHEHAEVVFTANDSGPRRYTIAA
LLSPYSYSTTAVVTN
Ligand information
Ligand IDOFL
InChIInChI=1S/C14H10F3NO2/c15-14(16,17)10-6-2-4-8-12(10)18-11-7-3-1-5-9(11)13(19)20/h1-8,18H,(H,19,20)
InChIKeyONKHJNFXJDEMNQ-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04FC(F)(F)c2ccccc2Nc1c(C(=O)O)cccc1
OpenEye OEToolkits 1.5.0c1ccc(c(c1)C(=O)O)Nc2ccccc2C(F)(F)F
CACTVS 3.341OC(=O)c1ccccc1Nc2ccccc2C(F)(F)F
FormulaC14 H10 F3 N O2
NameO-TRIFLUOROMETHYLPHENYL ANTHRANILIC ACID
ChEMBL
DrugBankDB02179
ZINCZINC000002046924
PDB chain1dvz Chain A Residue 125 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB1dvz Rational design of potent human transthyretin amyloid disease inhibitors.
Resolution1.9 Å
Binding residue
(original residue number in PDB)		K15 L17 A108
Binding residue
(residue number reindexed from 1)		K6 L8 A99
Annotation score1
Binding affinityMOAD: Kd=78nM
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:1dvz, PDBe:1dvz, PDBj:1dvz
PDBsum1dvz
PubMed10742177
UniProtP02766|TTHY_HUMAN Transthyretin (Gene Name=TTR)

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