Structure of PDB 1bsx Chain A Binding Site BS02

Receptor Information
>1bsx Chain A (length=243) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
KPEPTDEEWELIKTVTEAHVATNAQGSHWKQKRKFLPEDIGQAPKVDLEA
FSHFTKIITPAITRVVDFAKKLPMFCELPCEDQIILLKGCCMEIMSLRAA
VRYDPESETLTLNGEMAVTRGQLKNGGLGVVSDAIFDLGMSLSSFNLDDT
EVALLQAVLLMSSDRPGLACVERIEKYQDSFLLAFEHYINYRKHHVTHFW
PKLLMKVTDLRMIGACHASRFLHMKVECPTELFPPLFLEVFED
Ligand information
Ligand IDT3
InChIInChI=1S/C15H12I3NO4/c16-9-6-8(1-2-13(9)20)23-14-10(17)3-7(4-11(14)18)5-12(19)15(21)22/h1-4,6,12,20H,5,19H2,(H,21,22)/t12-/m0/s1
InChIKeyAUYYCJSJGJYCDS-LBPRGKRZSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0c1cc(c(cc1Oc2c(cc(cc2I)CC(C(=O)O)N)I)I)O
CACTVS 3.341N[C@@H](Cc1cc(I)c(Oc2ccc(O)c(I)c2)c(I)c1)C(O)=O
ACDLabs 10.04O=C(O)C(N)Cc2cc(I)c(Oc1cc(I)c(O)cc1)c(I)c2
OpenEye OEToolkits 1.5.0c1cc(c(cc1Oc2c(cc(cc2I)C[C@@H](C(=O)O)N)I)I)O
CACTVS 3.341N[CH](Cc1cc(I)c(Oc2ccc(O)c(I)c2)c(I)c1)C(O)=O
FormulaC15 H12 I3 N O4
Name3,5,3'TRIIODOTHYRONINE;
T3;
THYROID HORMONE;
LIOTHYRONINE
ChEMBLCHEMBL1544
DrugBankDB00279
ZINCZINC000003830999
PDB chain1bsx Chain A Residue 1 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB1bsx Structure and specificity of nuclear receptor-coactivator interactions.
Resolution3.7 Å
Binding residue
(original residue number in PDB)
F272 I276 S314 L330 N331 L346 H435 M442
Binding residue
(residue number reindexed from 1)
F54 I58 S96 L112 N113 L128 H217 M224
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0003677 DNA binding
GO:0004879 nuclear receptor activity
Biological Process
GO:0006355 regulation of DNA-templated transcription

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Molecular Function

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Biological Process
External links
PDB RCSB:1bsx, PDBe:1bsx, PDBj:1bsx
PDBsum1bsx
PubMed9808622
UniProtP10828|THB_HUMAN Thyroid hormone receptor beta (Gene Name=THRB)

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