Structure of PDB 4ttc Chain B Binding Site BS04

Receptor Information

>4ttc Chain B (length=220) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]

VEHIPFSHNHYPEKEMVKRSQEFYELLNKRRSVRFISNEQVPMEVIDNVI
RTAGTAPSGAHTEPWTFVVVKDPDVKHKIRKIIEEEEEINYMKRMGHRWV
TDLKKLRTNWIKEYLDTAPILILIFKQVHGFAANGKKKVHYYNEISVSIA
CGILLAALQNAGLVTVTTTPLNCGPRLRVLLGRPAHEKLLMLLPVGYPSK
EATVPDLKRKPLDQIMVTVH

Ligand information

Ligand ID

IYR

InChI

InChI=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

InChIKey

UQTZMGFTRHFAAM-ZETCQYMHSA-N

SMILES

Software	SMILES
OpenEye OEToolkits 1.5.0	c1cc(c(cc1CC(C(=O)O)N)I)O
OpenEye OEToolkits 1.5.0	c1cc(c(cc1C[C@@H](C(=O)O)N)I)O
CACTVS 3.341	N[C@@H](Cc1ccc(O)c(I)c1)C(O)=O
CACTVS 3.341	N[CH](Cc1ccc(O)c(I)c1)C(O)=O
ACDLabs 10.04	Ic1cc(ccc1O)CC(C(=O)O)N

Formula

C9 H10 I N O3

Name

3-IODO-TYROSINE

PDB chain

4ttc Chain B 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	4ttc A Switch between One- and Two-electron Chemistry of the Human Flavoprotein Iodotyrosine Deiodinase Is Controlled by Substrate.
Resolution	2.65 Å
Binding residue (original residue number in PDB)	E157 Y161 L173 K182
Binding residue (residue number reindexed from 1)	E87 Y91 L103 K112
Annotation score	5

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:4ttc, PDBe:4ttc, PDBj:4ttc
PDBsum	4ttc
PubMed	25395621
UniProt	Q6PHW0\|IYD1_HUMAN Iodotyrosine deiodinase 1 (Gene Name=IYD)

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