Structure of PDB 1tt6 Chain A Binding Site BS01

Receptor Information
>1tt6 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 IDDES
InChIInChI=1S/C18H20O2/c1-3-17(13-5-9-15(19)10-6-13)18(4-2)14-7-11-16(20)12-8-14/h5-12,19-20H,3-4H2,1-2H3/b18-17+
InChIKeyRGLYKWWBQGJZGM-ISLYRVAYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04Oc2ccc(/C(=C(/c1ccc(O)cc1)CC)CC)cc2
CACTVS 3.341CCC(c1ccc(O)cc1)=C(CC)c2ccc(O)cc2
OpenEye OEToolkits 1.5.0CCC(=C(CC)c1ccc(cc1)O)c2ccc(cc2)O
OpenEye OEToolkits 1.5.0CC/C(=C(/CC)\c1ccc(cc1)O)/c2ccc(cc2)O
CACTVS 3.341CC\C(c1ccc(O)cc1)=C(CC)/c2ccc(O)cc2
FormulaC18 H20 O2
NameDIETHYLSTILBESTROL
ChEMBLCHEMBL411
DrugBankDB00255
ZINCZINC000000001290
PDB chain1tt6 Chain A Residue 129 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB1tt6 The crystal structure of transthyretin in complex with diethylstilbestrol: a promising template for the design of amyloid inhibitors
Resolution1.8 Å
Binding residue
(original residue number in PDB)		K15 L17 A109 L110
Binding residue
(residue number reindexed from 1)		K6 L8 A100 L101
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:1tt6, PDBe:1tt6, PDBj:1tt6
PDBsum1tt6
PubMed15469931
UniProtP02766|TTHY_HUMAN Transthyretin (Gene Name=TTR)

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