Structure of PDB 3gfd Chain A Binding Site BS04

Receptor Information
>3gfd Chain A (length=220) Species: 10090 (Mus musculus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SVEHIPFSHTRYPEQEMRMRSQEFYELLNKRRSVRFISSEHVPMEVIENV
IKAAGTAPSGAHTEPWTFVVVKDPDMKHKIREIIEEEEEINYMKRMGKRW
VTDLKKLRTNWIKEYLDTAPVLILIFKQVHGFNGKKKVHYYNEISVSIAC
GLLLAALQNAGLVTVTTTPLNCGPRLRVLLGRPSHEKLLVLLPVGYPSRD
ATVPDLKRKALDQIMVTVHH
Ligand information
Ligand IDIYR
InChIInChI=1S/C9H10INO3/c10-6-3-5(1-2-8(6)12)4-7(11)9(13)14/h1-3,7,12H,4,11H2,(H,13,14)/t7-/m0/s1
InChIKeyUQTZMGFTRHFAAM-ZETCQYMHSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0c1cc(c(cc1CC(C(=O)O)N)I)O
OpenEye OEToolkits 1.5.0c1cc(c(cc1C[C@@H](C(=O)O)N)I)O
CACTVS 3.341N[C@@H](Cc1ccc(O)c(I)c1)C(O)=O
CACTVS 3.341N[CH](Cc1ccc(O)c(I)c1)C(O)=O
ACDLabs 10.04Ic1cc(ccc1O)CC(C(=O)O)N
FormulaC9 H10 I N O3
Name3-IODO-TYROSINE
ChEMBLCHEMBL479789
DrugBankDB01758
ZINCZINC000000001575
PDB chain3gfd Chain B Residue 302 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB3gfd Crystal structure of iodotyrosine deiodinase, a novel flavoprotein responsible for iodide salvage in thyroid glands.
Resolution2.45 Å
Binding residue
(original residue number in PDB)		G125 A126 Y208
Binding residue
(residue number reindexed from 1)		G60 A61 Y141
Annotation score5
Enzymatic activity
Enzyme Commision number 1.21.1.1: iodotyrosine deiodinase.
Gene Ontology
Molecular Function
GO:0016491 oxidoreductase activity

View graph for
Molecular Function
External links
PDB RCSB:3gfd, PDBe:3gfd, PDBj:3gfd
PDBsum3gfd
PubMed19436071
UniProtQ9DCX8|IYD1_MOUSE Iodotyrosine deiodinase 1 (Gene Name=Iyd)

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