Structure of PDB 6gnm Chain C Binding Site BS01

Receptor Information
>6gnm Chain C (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 ID27M
InChIInChI=1S/C13H10O5/c14-7-1-3-9(11(16)5-7)13(18)10-4-2-8(15)6-12(10)17/h1-6,14-17H
InChIKeyWXNRYSGJLQFHBR-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.7.6c1cc(c(cc1O)O)C(=O)c2ccc(cc2O)O
CACTVS 3.385Oc1ccc(c(O)c1)C(=O)c2ccc(O)cc2O
ACDLabs 12.01O=C(c1ccc(O)cc1O)c2ccc(O)cc2O
FormulaC13 H10 O5
Namebis(2,4-dihydroxyphenyl)methanone
ChEMBLCHEMBL3185091
DrugBank
ZINCZINC000000039103
PDB chain6gnm Chain C Residue 201 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB6gnm Interspecies Variation between Fish and Human Transthyretins in Their Binding of Thyroid-Disrupting Chemicals.
Resolution2.24 Å
Binding residue
(original residue number in PDB)		K15 L17 A108 L109
Binding residue
(residue number reindexed from 1)		K6 L8 A99 L100
Annotation score1
Binding affinityMOAD: Kd=54.61uM
PDBbind-CN: -logKd/Ki=4.26,Kd=54.61uM
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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Cellular Component
External links
PDB RCSB:6gnm, PDBe:6gnm, PDBj:6gnm
PDBsum6gnm
PubMed30226982
UniProtQ9PTT3

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