Structure of PDB 6tyk Chain A Binding Site BS02

Receptor Information
>6tyk Chain A (length=185) Species: 309803 (Thermotoga neapolitana DSM 4359) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
KMLYDLAKKRKTVRRFKKEKPPLEDLIYSLKVANEAPSGMNAQPWRFLIV
EDEKLKGQIRRVCERSEKTFYENVRGRLKEWLDEKRFTWRKPFLKEAPYL
LLVFSEKSAPYSRESVWLAVGYLLLALEEKGLGSVPYTPPDFREVEKLVN
TPSELRLEVILPVGYPDDPKPKYPRNEVIVRYNTF
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 chain6tyk Chain A Residue 302 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB6tyk Structure of Tn IYD bound in the semiquinone form bound to FMN and 3-iodo-L-tyrosine
Resolution1.35 Å
Binding residue
(original residue number in PDB)		E68 Y72 L83 F88 K92
Binding residue
(residue number reindexed from 1)		E67 Y71 L82 F87 K91
Annotation score5
Enzymatic activity
Enzyme Commision number 1.21.1.1: iodotyrosine deiodinase.
Gene Ontology
Molecular Function
GO:0010181 FMN binding
GO:0016491 oxidoreductase activity
GO:0072545 L-tyrosine binding
GO:0140616 iodotyrosine deiodinase activity
Biological Process
GO:0006570 tyrosine metabolic process

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Molecular Function
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Biological Process
External links
PDB RCSB:6tyk, PDBe:6tyk, PDBj:6tyk
PDBsum6tyk
PubMed
UniProtB9K712|IYD_THENN Iodotyrosine deiodinase (Gene Name=IYD)

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