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- ChemComp-NLQ: N~2~-ACETYL-L-GLUTAMINE -

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ID or keywords:

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Basic information

EntryDatabase: PDB chemical components / ID: NLQ
NameName: N~2~-acetyl-L-glutamine / Synonyms: N-ACETYL-L-GLUTAMINE

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Chemical information

Composition
Formula: C7H12N2O4 / Number of atoms: 25 / Formula weight: 188.181 / Formal charge: 0
Others

1xpy

GLN

Type: L-PEPTIDE LINKING / PDB classification: ATOMP / One letter code: Q / Three letter code: NLQ / Model coordinates PDB-ID: 1XPY / Parent comp.: GLN
History
Create componentOct 12, 2004
Modify descriptorJun 4, 2011
Modify synonymsJun 5, 2020
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(NC(C(=O)O)CCC(=O)N)C
CACTVS 3.341CC(=O)N[CH](CCC(N)=O)C(O)=O
OpenEye OEToolkits 1.5.0CC(=O)NC(CCC(=O)N)C(=O)O

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SMILES CANONICAL

CACTVS 3.341CC(=O)N[C@@H](CCC(N)=O)C(O)=O
OpenEye OEToolkits 1.5.0CC(=O)N[C@@H](CCC(=O)N)C(=O)O

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InChI

InChI 1.03InChI=1S/C7H12N2O4/c1-4(10)9-5(7(12)13)2-3-6(8)11/h5H,2-3H2,1H3,(H2,8,11)(H,9,10)(H,12,13)/t5-/m0/s1

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InChIKey

InChI 1.03KSMRODHGGIIXDV-YFKPBYRVSA-N

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SYSTEMATIC NAME

ACDLabs 10.04N~2~-acetyl-L-glutamine
OpenEye OEToolkits 1.5.0(2S)-2-acetamido-5-amino-5-oxo-pentanoic acid

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PDB entries

Showing all 3 items

PDB-1xpy:
Structural Basis for Catalytic Racemization and Substrate Specificity of an N-Acylamino Acid Racemase Homologue from Deinococcus radiodurans

PDB-2ggh:
The mutant A68C-D72C-NLQ of Deinococcus Radiodurans Nacylamino acid racemase

PDB-6add:
The crystal structure of Rv2747 from Mycobacterium tuberculosis in complex with CoA and NLQ

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