Structure of PDB 6q1b Chain B Binding Site BS02

Receptor Information
>6q1b Chain B (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 IDYOF
InChIInChI=1S/C9H10FNO3/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
InChIKeyVIIAUOZUUGXERI-ZETCQYMHSA-N
SMILES
SoftwareSMILES
CACTVS 3.341N[CH](Cc1ccc(O)c(F)c1)C(O)=O
OpenEye OEToolkits 1.5.0c1cc(c(cc1CC(C(=O)O)N)F)O
CACTVS 3.341N[C@@H](Cc1ccc(O)c(F)c1)C(O)=O
ACDLabs 10.04Fc1cc(ccc1O)CC(C(=O)O)N
OpenEye OEToolkits 1.5.0c1cc(c(cc1C[C@@H](C(=O)O)N)F)O
FormulaC9 H10 F N O3
Name3-FLUOROTYROSINE
ChEMBLCHEMBL1236909
DrugBankDB04436
ZINCZINC000000119457
PDB chain6q1b Chain A 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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PDB6q1b Crystal structure of oxidized Tn IYD bound to FMN and 3-fluoro-L-tyrosine
Resolution1.596 Å
Binding residue
(original residue number in PDB)		G40 M41 Y112
Binding residue
(residue number reindexed from 1)		G38 M39 Y110
Annotation score3
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:6q1b, PDBe:6q1b, PDBj:6q1b
PDBsum6q1b
PubMed
UniProtB9K712|IYD_THENN Iodotyrosine deiodinase (Gene Name=IYD)

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