Structure of PDB 1u21 Chain B Binding Site BS01

Receptor Information
>1u21 Chain B (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 IDP2C
InChIInChI=1S/C13H9Cl2NO5/c14-9-5-7(6-10(15)12(9)20-21-19)16-11-4-2-1-3-8(11)13(17)18/h1-6,16,19H,(H,17,18)
InChIKeySNAMTVTZDPUVRA-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0c1ccc(c(c1)C(=O)O)Nc2cc(c(c(c2)Cl)OOO)Cl
ACDLabs 10.04Clc1cc(cc(Cl)c1OOO)Nc2ccccc2C(=O)O
CACTVS 3.341OOOc1c(Cl)cc(Nc2ccccc2C(O)=O)cc1Cl
FormulaC13 H9 Cl2 N O5
Name2-[(3,5-DICHLORO-4-TRIOXIDANYLPHENYL)AMINO]BENZOIC ACID;
2-[3,5-DICHLORO-4-(2-{2-[2(2-MERCAPTOETHOXY)ETHOXY]ETHOXY}ETHOXY)PHENYLAMINO]BENZOIC ACID
ChEMBL
DrugBankDB04756
ZINCZINC000014881299
PDB chain1u21 Chain B Residue 221 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB1u21 Kinetic stabilization of an oligomeric protein by a single ligand binding event
Resolution1.69 Å
Binding residue
(original residue number in PDB)		K15 L17 L110 S117
Binding residue
(residue number reindexed from 1)		K6 L8 L101 S108
Annotation score1
Binding affinityMOAD: Kd=5nM
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:1u21, PDBe:1u21, PDBj:1u21
PDBsum1u21
PubMed15826192
UniProtP02766|TTHY_HUMAN Transthyretin (Gene Name=TTR)

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