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- ChemComp-0A1: O-methyl-L-tyrosine -

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Basic information

EntryDatabase: PDB chemical components / ID: 0A1
NameName: O-methyl-L-tyrosine

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Chemical information

Composition
Formula: C10H13NO3 / Number of atoms: 27 / Formula weight: 195.215 / Formal charge: 0
Others

1atl

TYR

Type: L-PEPTIDE LINKING / PDB classification: ATOMP / One letter code: Y / Three letter code: 0A1 / Ideal coordinates details: Corina / Model coordinates PDB-ID: 1ATL / Parent comp.: TYR
History
Create componentNov 9, 2007
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 10.04O=C(O)C(N)Cc1ccc(OC)cc1
CACTVS 3.341COc1ccc(C[CH](N)C(O)=O)cc1
OpenEye OEToolkits 1.5.0COc1ccc(cc1)CC(C(=O)O)N

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SMILES CANONICAL

CACTVS 3.341COc1ccc(C[C@H](N)C(O)=O)cc1
OpenEye OEToolkits 1.5.0COc1ccc(cc1)C[C@@H](C(=O)O)N

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InChI

InChI 1.03InChI=1S/C10H13NO3/c1-14-8-4-2-7(3-5-8)6-9(11)10(12)13/h2-5,9H,6,11H2,1H3,(H,12,13)/t9-/m0/s1

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InChIKey

InChI 1.03GEYBMYRBIABFTA-VIFPVBQESA-N

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SYSTEMATIC NAME

ACDLabs 10.04O-methyl-L-tyrosine
OpenEye OEToolkits 1.5.0(2S)-2-amino-3-(4-methoxyphenyl)propanoic acid

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PDB entries

Showing all 3 items

PDB-3qtc:
Crystal structure of the catalytic domain of MmOmeRS, an O-methyl tyrosyl-tRNA synthetase evolved from Methanosarcina mazei PylRS, complexed with O-methyl tyrosine and AMP-PNP

PDB-5yq1:
Crystal structure of E.coli aminopeptidase N in complex with O-Methyl-L-tyrosine

PDB-5yqb:
Crystal structure of E.coli aminopeptidase N in complex with Puromycin

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