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- ChemComp-2RA: 3-amino-D-alanine -

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ID or keywords:

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Basic information

EntryDatabase: PDB chemical components / ID: 2RA
NameName: 3-amino-D-alanine / Synonyms: diaminopropanoic acid

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Chemical information

Composition
Formula: C3H8N2O2 / Number of atoms: 15 / Formula weight: 104.108 / Formal charge: 0
Others

3anv

ALA

Type: D-peptide linking / PDB classification: ATOMP / Three letter code: 2RA / Ideal coordinates details: Corina / Model coordinates PDB-ID: 3ANV / Parent comp.: ALA
History
Create componentSep 27, 2010
Modify descriptorJun 4, 2011
Modify synonymsJun 4, 2011
Modify synonymsMar 1, 2021
Modify backboneNov 3, 2023
External linksUniChem / ChemSpider / Brenda / ChEBI / ChEMBL / CompTox / Metabolights / Nikkaji / PubChem / PubChem_TPharma / Rhea / SureChEMBL / ZINC / 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 12.01O=C(O)C(N)CN
CACTVS 3.385NC[CH](N)C(O)=O
OpenEye OEToolkits 1.7.6C(C(C(=O)O)N)N

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SMILES CANONICAL

CACTVS 3.385NC[C@@H](N)C(O)=O
OpenEye OEToolkits 1.7.6C([C@H](C(=O)O)N)N

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InChI

InChI 1.03InChI=1S/C3H8N2O2/c4-1-2(5)3(6)7/h2H,1,4-5H2,(H,6,7)/t2-/m1/s1

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InChIKey

InChI 1.03PECYZEOJVXMISF-UWTATZPHSA-N

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SYSTEMATIC NAME

ACDLabs 12.013-amino-D-alanine
OpenEye OEToolkits 1.7.6(2R)-2,3-bis(azanyl)propanoic acid

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PDB entries

Showing all 3 items

PDB-3anv:
Crystal structure of D-serine dehydratase from chicken kidney (2,3-DAP complex)

PDB-3pyl:
Crystal structure of aspartate beta-semialdehide dehydrogenase from Streptococcus pneumoniae with D-2,3-diaminopropionate

PDB-3pzb:
Crystals Structure of Aspartate beta-Semialdehyde Dehydrogenase complex with NADP and D-2,3-Diaminopropionate

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