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Structure of PDB 6gr7 Chain A Binding Site BS01

Receptor Information >6gr7 Chain A (length=116) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure] CPLMVKVLDAVRGSPAINVAVHVFRKAADDTWEPFASGKTSESGELHGLT TEEEFVEGIYKVEIDTKSYWKALGISPFHEHAEVVFTANDSGPRRYTIAA LLSPYSYSTTAVVTNP

Ligand information Ligand ID F52 InChI InChI=1S/C8H5Cl3O3/c9-4-1-6(11)7(2-5(4)10)14-3-8(12)13/h1-2H,3H2,(H,12,13) InChIKey SMYMJHWAQXWPDB-UHFFFAOYSA-N SMILES Software SMILES CACTVS 3.385 OC(=O)COc1cc(Cl)c(Cl)cc1Cl OpenEye OEToolkits 2.0.6 c1c(c(cc(c1Cl)Cl)Cl)OCC(=O)O Formula C8 H5 Cl3 O3 Name 2-[2,4,5-tris(chloranyl)phenoxy]ethanoic acid ChEMBL CHEMBL194458 DrugBank ZINC ZINC000000056520 PDB chain 6gr7 Chain A Residue 201 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]

Receptor-Ligand Complex Structure Global view Local view Structure summary [Spin on] [Spin off] [Reset] [High quality] [Low quality] [White background] [Black background] [Spin on] [Spin off] [Reset] [High quality] [Low quality] [White background] [Black background] PDB 6gr7 Interspecies Variation between Fish and Human Transthyretins in Their Binding of Thyroid-Disrupting Chemicals. Resolution 1.4 Å Binding residue (original residue number in PDB) L17 A108 A109 L110 Binding residue (residue number reindexed from 1) L8 A99 A100 L101 Annotation score 1 Binding affinity MOAD: Kd=3.19uM PDBbind-CN: -logKd/Ki=5.50,Kd=3.19uM

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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