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- ChemComp-EXL: 1-Methyl-L-tryptophan -

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Basic information

EntryDatabase: PDB chemical components / ID: EXL
NameName: 1-Methyl-L-tryptophan
Synonyms: (2S)-2-azanyl-3-(1-methylindol-3-yl)propanoic acid

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Chemical information

Composition
Formula: C12H14N2O2 / Number of atoms: 30 / Formula weight: 218.252 / Formal charge: 0
Others

6lya

TRP

Type: L-peptide linking / PDB classification: ATOMP / One letter code: W / Three letter code: EXL / Ideal coordinates details: Corina / Model coordinates PDB-ID: 6LYA / Parent comp.: TRP
History
Create componentFeb 14, 2020
Initial releaseJul 8, 2020
Other modificationDec 16, 2020
Modify synonymsMar 1, 2021
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

CACTVS 3.385Cn1cc(C[CH](N)C(O)=O)c2ccccc12
OpenEye OEToolkits 2.0.7Cn1cc(c2c1cccc2)CC(C(=O)O)N

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SMILES CANONICAL

CACTVS 3.385Cn1cc(C[C@H](N)C(O)=O)c2ccccc12
OpenEye OEToolkits 2.0.7Cn1cc(c2c1cccc2)C[C@@H](C(=O)O)N

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InChI

InChI 1.03InChI=1S/C12H14N2O2/c1-14-7-8(6-10(13)12(15)16)9-4-2-3-5-11(9)14/h2-5,7,10H,6,13H2,1H3,(H,15,16)/t10-/m0/s1

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InChIKey

InChI 1.03ZADWXFSZEAPBJS-JTQLQIEISA-N

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PDB entries

Showing all 1 items

PDB-6lya:
PylRS C-terminus domain mutant bound with 1-Methyl-L-tryptophan and AMPNP

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