Structure of PDB 3gh8 Chain C Binding Site BS02

Receptor Information

>3gh8 Chain C (length=221) Species: 10090 (Mus musculus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]

SVEHIPFSHTRYPEQEMRMRSQEFYELLNKRRSVRFISSEHVPMEVIENV
IKAAGTAPSGAHTEPWTFVVVKDPDMKHKIREIIEEEEEINYMKRMGKRW
VTDLKKLRTNWIKEYLDTAPVLILIFKQVHGFAANGKKKVHYYNEISVSI
ACGLLLAALQNAGLVTVTTTPLNCGPRLRVLLGRPSHEKLLVLLPVGYPS
RDATVPDLKRKALDQIMVTVH

Ligand information

Ligand ID

TYI

InChI

InChI=1S/C9H9I2NO3/c10-5-1-4(2-6(11)8(5)13)3-7(12)9(14)15/h1-2,7,13H,3,12H2,(H,14,15)/t7-/m0/s1

InChIKey

NYPYHUZRZVSYKL-ZETCQYMHSA-N

SMILES

Software	SMILES
OpenEye OEToolkits 1.5.0	c1c(cc(c(c1I)O)I)CC(C(=O)O)N
CACTVS 3.341	N[CH](Cc1cc(I)c(O)c(I)c1)C(O)=O
CACTVS 3.341	N[C@@H](Cc1cc(I)c(O)c(I)c1)C(O)=O
ACDLabs 10.04	Ic1cc(cc(I)c1O)CC(C(=O)O)N
OpenEye OEToolkits 1.5.0	c1c(cc(c(c1I)O)I)C[C@@H](C(=O)O)N

Formula

C9 H9 I2 N O3

Name

3,5-DIIODOTYROSINE

PDB chain

3gh8 Chain C Residue 302 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]

Receptor-Ligand Complex Structure

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Structure summary

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PDB	3gh8 Crystal structure of iodotyrosine deiodinase, a novel flavoprotein responsible for iodide salvage in thyroid glands.
Resolution	2.61 Å
Binding residue (original residue number in PDB)	R100 E153 Y157 L169 L172 T174 K178
Binding residue (residue number reindexed from 1)	R35 E88 Y92 L104 L107 T109 K113
Annotation score	3

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:3gh8, PDBe:3gh8, PDBj:3gh8
PDBsum	3gh8
PubMed	19436071
UniProt	Q9DCX8\|IYD1_MOUSE Iodotyrosine deiodinase 1 (Gene Name=Iyd)

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