+Open data
-Basic information
Entry | Database: PDB chemical components / ID: 2AS | ||||
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Name | Name: (Wikipedia | Wikipedia - L-threo-3-Methylaspartate: l-threo-3-Methylaspartate is an unusual amino acid formed by glutamate mutase and can be metabolised by methylaspartate ammonia-lyase. It is found in the structures of the antibiotics friulimicin and vicenistatin and in carbon metabolism of haloarchaea (Methylaspartate cycle).... | Comment | antibiotic*YM | |
-Chemical information
Composition | Formula: C5H9NO4 / Number of atoms: 19 / Formula weight: 147.129 / Formal charge: 0 | ||||||
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Others | Type: L-peptide linking / PDB classification: HETAIN / One letter code: X / Three letter code: 2AS / Ideal coordinates details: Corina / Model coordinates PDB-ID: 1W3M | ||||||
History |
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External links | UniChem / Brenda / ChEBI / ChEMBL / DrugBank / KEGG_Ligand / Metabolights / NMRShiftDB / Nikkaji / PubChem / PubChem_TPharma / SureChEMBL / ZINC / ChemSpider / Wikipedia search / Google search |
-Structure visualization
Structure viewer | Molecule: MolmilJmol/JSmol |
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-Details
-SMILES
ACDLabs 10.04 | CACTVS 3.352 | OpenEye OEToolkits 1.7.0 | |
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-SMILES CANONICAL
CACTVS 3.352 | OpenEye OEToolkits 1.7.0 | |
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-InChI
InChI 1.03 |
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-InChIKey
InChI 1.03 |
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-SYSTEMATIC NAME
ACDLabs 10.04 | (OpenEye OEToolkits 1.6.1 | ( | |
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-PDB entries
Showing all 4 items
PDB-1i9c:
GLUTAMATE MUTASE FROM CLOSTRIDIUM COCHLEARIUM: COMPLEX WITH ADENOSYLCOBALAMIN AND SUBSTRATE
PDB-1kkr:
CRYSTAL STRUCTURE OF CITROBACTER AMALONATICUS METHYLASPARTATE AMMONIA LYASE CONTAINING (2S,3S)-3-METHYLASPARTIC ACID
PDB-3wv5:
Complex structure of VinN with 3-methylaspartate
PDB-5xnk:
Crystal structure of Microcystis aeruginosa PCC 7806 aspartate racemase in complex with DL-methyl-aspartate