Structure of PDB 2b16 Chain B Binding Site BS01

Receptor Information
>2b16 Chain B (length=115) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
CPLMVKVLDAVRGSPAINVAVHVFRKAADDTWEPFASGKTSESGELHGLT
TEEEFVEGIYKVEIDTKSFWKALGISPFHEHAEVVFTANDSGPRRYTIAA
LLSPYSYSTTAVVTN
Ligand information
Ligand IDDNF
InChIInChI=1S/C6H4N2O5/c9-6-2-1-4(7(10)11)3-5(6)8(12)13/h1-3,9H
InChIKeyUFBJCMHMOXMLKC-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341Oc1ccc(cc1[N+]([O-])=O)[N+]([O-])=O
OpenEye OEToolkits 1.5.0c1cc(c(cc1[N+](=O)[O-])[N+](=O)[O-])O
ACDLabs 10.04O=[N+]([O-])c1cc(ccc1O)[N+]([O-])=O
FormulaC6 H4 N2 O5
Name2,4-DINITROPHENOL
ChEMBLCHEMBL273386
DrugBankDB04528
ZINCZINC000012358776
PDB chain2b16 Chain B Residue 128 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB2b16 The binding of 2,4-dinitrophenol to wild-type and amyloidogenic transthyretin
Resolution1.75 Å
Binding residue
(original residue number in PDB)		A108 A109 S117 T118
Binding residue
(residue number reindexed from 1)		A99 A100 S108 T109
Annotation score1
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:2b16, PDBe:2b16, PDBj:2b16
PDBsum2b16
PubMed16627944
UniProtP02766|TTHY_HUMAN Transthyretin (Gene Name=TTR)

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