Structure of PDB 2gab Chain B Binding Site BS01

Receptor Information
>2gab Chain B (length=114) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
CPLMVKVLDAVRGSPAINVAVHVFRKAADDTWEPFASGKTSESGELHGLT
TEEEFVEGIYKVEIDTKSYWKALGISPFHEHAEVVFTANDSGPRRYTIAA
LLSPYSYSTTAVVT
Ligand information
Ligand IDNE2
InChIInChI=1S/C12H6Cl4O/c13-8-2-1-6(3-9(8)14)7-4-10(15)12(17)11(16)5-7/h1-5,17H
InChIKeyRQGVZEFZWFEKQR-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04Clc2ccc(c1cc(Cl)c(O)c(Cl)c1)cc2Cl
OpenEye OEToolkits 1.5.0c1cc(c(cc1c2cc(c(c(c2)Cl)O)Cl)Cl)Cl
CACTVS 3.341Oc1c(Cl)cc(cc1Cl)c2ccc(Cl)c(Cl)c2
FormulaC12 H6 Cl4 O
Name3,3',4',5-TETRACHLOROBIPHENYL-4-OL
ChEMBLCHEMBL1234677
DrugBank
ZINCZINC000006092189
PDB chain2gab Chain B Residue 501 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB2gab Hydroxylated polychlorinated biphenyls selectively bind transthyretin in blood and inhibit amyloidogenesis: rationalizing rodent PCB toxicity
Resolution1.85 Å
Binding residue
(original residue number in PDB)		K15 A108
Binding residue
(residue number reindexed from 1)		K6 A99
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:2gab, PDBe:2gab, PDBj:2gab
PDBsum2gab
PubMed15610856
UniProtP02766|TTHY_HUMAN Transthyretin (Gene Name=TTR)

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