Structure of PDB 1e5a Chain A Binding Site BS01

Receptor Information
>1e5a 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 IDTBP
InChIInChI=1S/C6H3Br3O/c7-3-1-4(8)6(10)5(9)2-3/h1-2,10H
InChIKeyBSWWXRFVMJHFBN-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341Oc1c(Br)cc(Br)cc1Br
OpenEye OEToolkits 1.5.0c1c(cc(c(c1Br)O)Br)Br
ACDLabs 10.04Brc1cc(Br)cc(Br)c1O
FormulaC6 H3 Br3 O
Name2,4,6-TRIBROMOPHENOL
ChEMBLCHEMBL220087
DrugBankDB02417
ZINCZINC000000388234
PDB chain1e5a Chain A Residue 999 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB1e5a Structure of Human Transthyretin Complexed with Bromophenols : A New Mode of Binding
Resolution1.8 Å
Binding residue
(original residue number in PDB)		K15 L17
Binding residue
(residue number reindexed from 1)		K6 L8
Annotation score1
Binding affinityMOAD: Kd=23nM
PDBbind-CN: -logKd/Ki=7.64,Kd=23nM
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:1e5a, PDBe:1e5a, PDBj:1e5a
PDBsum1e5a
PubMed10957627
UniProtP02766|TTHY_HUMAN Transthyretin (Gene Name=TTR)

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