Structure of PDB 1e4h Chain A Binding Site BS01

Receptor Information
>1e4h 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 IDPBR
InChIInChI=1S/C6HBr5O/c7-1-2(8)4(10)6(12)5(11)3(1)9/h12H
InChIKeySVHOVVJFOWGYJO-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0c1(c(c(c(c(c1Br)Br)Br)Br)Br)O
CACTVS 3.341Oc1c(Br)c(Br)c(Br)c(Br)c1Br
ACDLabs 10.04Brc1c(O)c(Br)c(Br)c(Br)c1Br
FormulaC6 H Br5 O
NamePENTABROMOPHENOL
ChEMBLCHEMBL1235157
DrugBankDB03167
ZINCZINC000001687157
PDB chain1e4h Chain B Residue 999 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB1e4h Structure of Human Transthyretin Complexed with Bromophenols : A New Mode of Binding
Resolution1.8 Å
Binding residue
(original residue number in PDB)		K15 L17 A108 T119
Binding residue
(residue number reindexed from 1)		K6 L8 A99 T110
Annotation score1
Binding affinityMOAD: Kd=3.9nM
PDBbind-CN: -logKd/Ki=8.41,Kd=3.9nM
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:1e4h, PDBe:1e4h, PDBj:1e4h
PDBsum1e4h
PubMed10957627
UniProtP02766|TTHY_HUMAN Transthyretin (Gene Name=TTR)

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