Structure of PDB 6q1l Chain A Binding Site BS02

Receptor Information
>6q1l Chain A (length=184) Species: 309803 (Thermotoga neapolitana DSM 4359) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MLYDLAKKRKTVRRFKKEKPPLEDLIYSLKVANEAPSGMNAQPWRFLIVE
DEKLKGQIRRVCERSEKTFYENVRGRLKEWLDEKRFTWRKPFLKEAPYLL
LVFSEKSAPYSRESVWLAVGYLLLALEEKGLGSVPYTPPDFREVEKLVNT
PSELRLEVILPVGYPDDPKPKYPRNEVIVRYNTF
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 chain6q1l 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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PDB6q1l The minimal structure for iodotyrosine deiodinase function is defined by an outlier protein from the thermophilic bacterium Thermotoga neapolitana.
Resolution1.6 Å
Binding residue
(original residue number in PDB)		E68 Y72 L83 F88 K92
Binding residue
(residue number reindexed from 1)		E66 Y70 L81 F86 K90
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:6q1l, PDBe:6q1l, PDBj:6q1l
PDBsum6q1l
PubMed34748729
UniProtB9K712|IYD_THENN Iodotyrosine deiodinase (Gene Name=IYD)

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