Structure of PDB 3glz Chain A Binding Site BS01

Receptor Information
>3glz 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 ID1BD
InChIInChI=1S/C11H10F3NO3/c12-11(13,14)9-4-2-1-3-8(9)7-15-18-6-5-10(16)17/h1-4,7H,5-6H2,(H,16,17)/b15-7+
InChIKeyNBNFAYOWJREHBN-VIZOYTHASA-N
SMILES
SoftwareSMILES
CACTVS 3.341OC(=O)CCON=Cc1ccccc1C(F)(F)F
ACDLabs 10.04FC(F)(F)c1ccccc1\C=N\OCCC(=O)O
OpenEye OEToolkits 1.5.0c1ccc(c(c1)\C=N\OCCC(=O)O)C(F)(F)F
OpenEye OEToolkits 1.5.0c1ccc(c(c1)C=NOCCC(=O)O)C(F)(F)F
CACTVS 3.341OC(=O)CCO\N=C\c1ccccc1C(F)(F)F
FormulaC11 H10 F3 N O3
Name3-[({(1E)-[2-(trifluoromethyl)phenyl]methylidene}amino)oxy]propanoic acid;
(E)-3-(2-(trifluoromethyl)benzylideneaminooxy)propanoic acid
ChEMBL
DrugBankDB06885
ZINCZINC000038777905
PDB chain3glz Chain A Residue 500 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB3glz Novel transthyretin amyloid fibril formation inhibitors: synthesis, biological evaluation, and X-ray structural analysis
Resolution1.78 Å
Binding residue
(original residue number in PDB)		S117 T119
Binding residue
(residue number reindexed from 1)		S108 T110
Annotation score1
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:3glz, PDBe:3glz, PDBj:3glz
PDBsum3glz
PubMed19621084
UniProtP02766|TTHY_HUMAN Transthyretin (Gene Name=TTR)

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