Structure of PDB 5tzl Chain A Binding Site BS01

Receptor Information
>5tzl Chain A (length=116) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
CPLMVKVLDAVRGSPAINVAVHVFRKAADDTWEPFASGKTSESGELHGLT
TEEEFVEGIYKVEIDTKSYWKALGISPFHEHAEVVFTANDSGPRRYTIAA
LLSPYSYSTTAVVTNP
Ligand information
Ligand IDIIH
InChIInChI=1S/C13H6ClI2NO2/c14-7-2-1-3-10-12(7)19-13(17-10)6-4-8(15)11(18)9(16)5-6/h1-5,18H
InChIKeyVVINERCPKRFEOL-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 12.01Ic3cc(c1nc2cccc(Cl)c2o1)cc(I)c3O
OpenEye OEToolkits 1.7.0c1cc2c(c(c1)Cl)oc(n2)c3cc(c(c(c3)I)O)I
CACTVS 3.370Oc1c(I)cc(cc1I)c2oc3c(Cl)cccc3n2
FormulaC13 H6 Cl I2 N O2
Name4-(7-chloro-1,3-benzoxazol-2-yl)-2,6-diiodophenol;
2-(3,5-Diiodo-4-hydroxyphenyl)-7-chlorobenzoxazole
ChEMBLCHEMBL4075903
DrugBank
ZINC
PDB chain5tzl Chain A Residue 201 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB5tzl Semi-quantitative models for identifying potent and selective transthyretin amyloidogenesis inhibitors.
Resolution1.4 Å
Binding residue
(original residue number in PDB)		K15 L110 S117 T118 T119
Binding residue
(residue number reindexed from 1)		K6 L101 S108 T109 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:5tzl, PDBe:5tzl, PDBj:5tzl
PDBsum5tzl
PubMed28625364
UniProtP02766|TTHY_HUMAN Transthyretin (Gene Name=TTR)

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