Structure of PDB 1ie4 Chain B Binding Site BS01

Receptor Information
>1ie4 Chain B (length=120) Species: 10116 (Rattus norvegicus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SKCPLMVKVLDAVRGSPAVDVAVKVFKKTADGSWEPFASGKTAESGELHG
LTTDEKFTEGVYRVELDTKSYWKALGISPFHEYAEVVFTANDSGHRHYTI
AALLSPYSYSTTAVVSNPQN
Ligand information
Ligand IDT44
InChIInChI=1S/C15H11I4NO4/c16-8-4-7(5-9(17)13(8)21)24-14-10(18)1-6(2-11(14)19)3-12(20)15(22)23/h1-2,4-5,12,21H,3,20H2,(H,22,23)/t12-/m0/s1
InChIKeyXUIIKFGFIJCVMT-LBPRGKRZSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0c1c(cc(c(c1I)Oc2cc(c(c(c2)I)O)I)I)C[C@@H](C(=O)O)N
CACTVS 3.341N[CH](Cc1cc(I)c(Oc2cc(I)c(O)c(I)c2)c(I)c1)C(O)=O
ACDLabs 10.04O=C(O)C(N)Cc2cc(I)c(Oc1cc(I)c(O)c(I)c1)c(I)c2
CACTVS 3.341N[C@@H](Cc1cc(I)c(Oc2cc(I)c(O)c(I)c2)c(I)c1)C(O)=O
OpenEye OEToolkits 1.5.0c1c(cc(c(c1I)Oc2cc(c(c(c2)I)O)I)I)CC(C(=O)O)N
FormulaC15 H11 I4 N O4
Name3,5,3',5'-TETRAIODO-L-THYRONINE
ChEMBLCHEMBL1624
DrugBankDB00451
ZINCZINC000003830993
PDB chain1ie4 Chain B Residue 328 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB1ie4 Structure of rat transthyretin (rTTR) complex with thyroxine at 2.5 A resolution: first non-biased insight into thyroxine binding reveals different hormone orientation in two binding sites.
Resolution2.5 Å
Binding residue
(original residue number in PDB)		K15 E54 A108 A109 L110
Binding residue
(residue number reindexed from 1)		K8 E47 A101 A102 L103
Annotation score1
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0005179 hormone activity
GO:0042562 hormone binding
GO:0042802 identical protein binding
GO:0044877 protein-containing complex binding
GO:0070324 thyroid hormone binding
Biological Process
GO:0006144 purine nucleobase metabolic process
GO:0007165 signal transduction
GO:0042403 thyroid hormone metabolic process
Cellular Component
GO:0005576 extracellular region
GO:0005615 extracellular space
GO:0032991 protein-containing complex

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:1ie4, PDBe:1ie4, PDBj:1ie4
PDBsum1ie4
PubMed11468389
UniProtP02767|TTHY_RAT Transthyretin (Gene Name=Ttr)

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