Structure of PDB 6gno Chain A Binding Site BS01

Receptor Information
>6gno Chain A (length=114) Species: 8175 (Sparus aurata) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
CPLMVKILDAVKGTPAGSVALKVSQKTADGGWTQIATGVTDATGEIHNLI
TEQQFPAGVYRVEFDTKAYWTNQGSTPFHEVAEVVFDAHPEGHRHYTLAL
LLSPFSYTTTAVVS
Ligand information
Ligand IDXDI
InChIInChI=1S/C15H12Br4O2/c1-15(2,7-3-9(16)13(20)10(17)4-7)8-5-11(18)14(21)12(19)6-8/h3-6,20-21H,1-2H3
InChIKeyVEORPZCZECFIRK-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.370CC(C)(c1cc(Br)c(O)c(Br)c1)c2cc(Br)c(O)c(Br)c2
ACDLabs 12.01Brc1cc(cc(Br)c1O)C(c2cc(Br)c(O)c(Br)c2)(C)C
OpenEye OEToolkits 1.7.0CC(C)(c1cc(c(c(c1)Br)O)Br)c2cc(c(c(c2)Br)O)Br
FormulaC15 H12 Br4 O2
Name4,4'-propane-2,2-diylbis(2,6-dibromophenol)
ChEMBLCHEMBL184450
DrugBank
ZINCZINC000001689786
PDB chain6gno Chain A Residue 201 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB6gno Interspecies Variation between Fish and Human Transthyretins in Their Binding of Thyroid-Disrupting Chemicals.
Resolution1.65 Å
Binding residue
(original residue number in PDB)		K15 L17 A108 L109 L110
Binding residue
(residue number reindexed from 1)		K6 L8 A99 L100 L101
Annotation score1
Binding affinityMOAD: Kd=0.18uM
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0005179 hormone activity
GO:0070324 thyroid hormone binding
Biological Process
GO:0006144 purine nucleobase metabolic process
GO:0007165 signal transduction
Cellular Component
GO:0005576 extracellular region

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:6gno, PDBe:6gno, PDBj:6gno
PDBsum6gno
PubMed30226982
UniProtQ9PTT3

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