Structure of PDB 1e4h Chain B Binding Site BS01
Receptor Information
>1e4h Chain B (length=116) Species:
9606
(Homo sapiens) [
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CPLMVKVLDAVRGSPAINVAVHVFRKAADDTWEPFASGKTSESGELHGLT
TEEEFVEGIYKVEIDTKSYWKALGISPFHEHAEVVFTANDSGPRRYTIAA
LLSPYSYSTTAVVTNP
Ligand information
Ligand ID
PBR
InChI
InChI=1S/C6HBr5O/c7-1-2(8)4(10)6(12)5(11)3(1)9/h12H
InChIKey
SVHOVVJFOWGYJO-UHFFFAOYSA-N
SMILES
Software
SMILES
OpenEye OEToolkits 1.5.0
c1(c(c(c(c(c1Br)Br)Br)Br)Br)O
CACTVS 3.341
Oc1c(Br)c(Br)c(Br)c(Br)c1Br
ACDLabs 10.04
Brc1c(O)c(Br)c(Br)c(Br)c1Br
Formula
C6 H Br5 O
Name
PENTABROMOPHENOL
ChEMBL
CHEMBL1235157
DrugBank
DB03167
ZINC
ZINC000001687157
PDB chain
1e4h Chain A Residue 998 [
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Receptor-Ligand Complex Structure
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PDB
1e4h
Structure of Human Transthyretin Complexed with Bromophenols : A New Mode of Binding
Resolution
1.8 Å
Binding residue
(original residue number in PDB)
K15 L17 A108 T119
Binding residue
(residue number reindexed from 1)
K6 L8 A99 T110
Annotation score
1
Binding affinity
MOAD
: 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
PDBsum
1e4h
PubMed
10957627
UniProt
P02766
|TTHY_HUMAN Transthyretin (Gene Name=TTR)
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