Structure of PDB 6gon Chain D Binding Site BS01

Receptor Information
>6gon Chain D (length=115) Species: 8175 (Sparus aurata) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
CPLMVKILDAVKGTPAGSVALKVSQKTADGGWTQIATGVTDATGEIHNLI
TEQQFPAGVYRVEFDTKAYWTNQGSTPFHEVAEVVFDAHPEGHRHYTLAL
LLSPFSYTTTAVVSS
Ligand information
Ligand ID8PF
InChIInChI=1S/C8HF15O2/c9-2(10,1(24)25)3(11,12)4(13,14)5(15,16)6(17,18)7(19,20)8(21,22)23/h(H,24,25)
InChIKeySNGREZUHAYWORS-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 12.01C(F)(C(F)(C(C(F)(F)F)(F)F)F)(C(F)(C(F)(F)C(F)(F)C(O)=O)F)F
OpenEye OEToolkits 2.0.4C(=O)(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)O
CACTVS 3.385OC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
FormulaC8 H F15 O2
Namepentadecafluorooctanoic acid
ChEMBLCHEMBL172988
DrugBank
ZINCZINC000006844606
PDB chain6gon Chain D Residue 201 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB6gon 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 L110 T117
Binding residue
(residue number reindexed from 1)		K6 L8 A99 L101 T108
Annotation score1
Binding affinityMOAD: Kd=2.16uM
PDBbind-CN: -logKd/Ki=5.67,Kd=2.16uM
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:6gon, PDBe:6gon, PDBj:6gon
PDBsum6gon
PubMed30226982
UniProtQ9PTT3

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