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- ChemComp-D0Q: 5-methyl-L-tryptophan -

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Basic information

EntryDatabase: PDB chemical components / ID: D0Q
NameName: 5-methyl-L-tryptophan

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Chemical information

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

6f9k

Type: L-peptide linking / PDB classification: ATOMP / Three letter code: D0Q / Ideal coordinates details: Corina / Model coordinates PDB-ID: 6F9K
History
Create componentDec 15, 2017
Initial releaseJan 30, 2019
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 3.385Cc1ccc2[nH]cc(C[CH](N)C(O)=O)c2c1
OpenEye OEToolkits 2.0.6Cc1ccc2c(c1)c(c[nH]2)CC(C(=O)O)N

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SMILES CANONICAL

CACTVS 3.385Cc1ccc2[nH]cc(C[C@H](N)C(O)=O)c2c1
OpenEye OEToolkits 2.0.6Cc1ccc2c(c1)c(c[nH]2)C[C@@H](C(=O)O)N

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InChI

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

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InChIKey

InChI 1.03HUNCSWANZMJLPM-JTQLQIEISA-N

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PDB entries

Showing all 3 items

PDB-6f9k:
Tryptophan Repressor TrpR from E.coli with 5-methyl-L-tryptophan as ligand

PDB-6fw8:
Crystal structure of L-tryptophan oxidase VioA from Chromobacterium violaceum in complex with 5-Methyl-L-Tryptophan

PDB-7w8w:
DMSPP- and 5-Me-Trp-bound 6-dimethylallyl tryptophan synthase, IptA

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