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- ChemComp-YOF: 3-FLUOROTYROSINE -

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Basic information

EntryDatabase: PDB chemical components / ID: YOF
NameName: 3-fluorotyrosine

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Chemical information

Composition
Formula: C9H10FNO3 / Number of atoms: 24 / Formula weight: 199.179 / Formal charge: 0
Others

3fyg

TYR

Type: L-PEPTIDE LINKING / PDB classification: HETAIN / One letter code: Y / Three letter code: YOF / Model coordinates PDB-ID: 3FYG / Parent comp.: TYR
History
Create componentJul 8, 1999
Modify descriptorJun 4, 2011
Modify backboneNov 3, 2023
External linksUniChem / ChemSpider / Wikipedia search / Google search

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Structure visualization

Structure viewerMolecule:
MolmilJmol/JSmol

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Details

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SMILES

ACDLabs 10.04Fc1cc(ccc1O)CC(C(=O)O)N
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

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SMILES CANONICAL

CACTVS 3.341N[C@@H](Cc1ccc(O)c(F)c1)C(O)=O
OpenEye OEToolkits 1.5.0c1cc(c(cc1C[C@@H](C(=O)O)N)F)O

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InChI

InChI 1.03InChI=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

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InChIKey

InChI 1.03VIIAUOZUUGXERI-ZETCQYMHSA-N

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SYSTEMATIC NAME

ACDLabs 10.043-fluoro-L-tyrosine
OpenEye OEToolkits 1.5.0(2S)-2-amino-3-(3-fluoro-4-hydroxy-phenyl)propanoic acid

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PDB entries

Showing all 6 items

PDB-5yak:
The crystal structure of human IYD Thr239 mutant with ligand 3-Fluorotyrosine (F-Tyr)

PDB-6mpd:
Citrobacter freundii tyrosine phenol-lyase complexed with 4-hydroxypyridine and aminoacrylate from 3-F-L-tyrosine

PDB-6q1b:
Crystal structure of oxidized iodotyrosine deiodinase (IYD) bound to FMN and 3-fluoro-L-tyrosine

PDB-7kqs:
A 1.68-A resolution 3-fluoro-L-tyrosine bound crystal structure of heme-dependent tyrosine hydroxylase

PDB-7kqt:
A 1.84-A resolution crystal structure of heme-dependent L-tyrosine hydroxylase in complex with 3-fluoro-L-tyrosine and cyanide

PDB-7kqu:
A 1.58-A resolution crystal structure of ferric-hydroperoxo intermediate of L-tyrosine hydroxylase in complex with 3-fluoro-L-tyrosine

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