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- ChemComp-SYM: 2S,4R-4-METHYLGLUTAMATE -

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Basic information

EntryDatabase: PDB chemical components / ID: SYM
NameName: 2S,4R-4-methylglutamate

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Chemical information

Composition
Formula: C6H10NO4 / Number of atoms: 21 / Formula weight: 160.148 / Formal charge: -1
Others

1sd3

Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: SYM / Model coordinates PDB-ID: 1SD3
History
Create componentFeb 16, 2004
Modify descriptorJun 4, 2011
External linksUniChem / ChemSpider / CompTox / DrugBank / PubChem / 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 10.04[O-]C(=O)C(N)CC(C(=O)O)C
CACTVS 3.341C[CH](C[CH](N)C([O-])=O)C(O)=O
OpenEye OEToolkits 1.5.0CC(CC(C(=O)[O-])N)C(=O)O

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SMILES CANONICAL

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

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InChI

InChI 1.03InChI=1S/C6H11NO4/c1-3(5(8)9)2-4(7)6(10)11/h3-4H,2,7H2,1H3,(H,8,9)(H,10,11)/p-1/t3-,4+/m1/s1

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InChIKey

InChI 1.03KRKRAOXTGDJWNI-DMTCNVIQSA-M

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SYSTEMATIC NAME

ACDLabs 10.04(2S,4R)-2-amino-4-carboxypentanoate
OpenEye OEToolkits 1.5.0(2S,4R)-2-amino-5-hydroxy-4-methyl-5-oxo-pentanoate

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PDB entries

Showing all 4 items

PDB-1sd3:
Crystal structure of the GLUR6 ligand binding core in complex with 2S,4R-4-methylglutamate at 1.8 Angstrom resolution

PDB-5cmm:
Crystal structure of the GluK2EM LBD dimer assembly complex with 2S,4R-4-methylglutamate

PDB-5kuf:
GluK2EM with 2S,4R-4-methylglutamate

PDB-6jmv:
Crystal structure of the GluK3 ligand binding domain complex with SYM and zinc

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