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- ChemComp-ABA: ALPHA-AMINOBUTYRIC ACID -

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Basic information

EntryDatabase: PDB chemical components / ID: ABA
NameName: alpha-aminobutyric acid

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Chemical information

Composition
Formula: C4H9NO2 / Number of atoms: 16 / Formula weight: 103.12 / Formal charge: 0
Others

1cwc

ALA

Type: L-PEPTIDE LINKING / PDB classification: ATOMP / One letter code: A / Three letter code: ABA / Ideal coordinates details: Corina / Model coordinates PDB-ID: 1CWC / Parent comp.: ALA
History
Create componentJul 8, 1999
Modify descriptorJun 4, 2011
Other modificationFeb 19, 2015
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

ACDLabs 12.01O=C(O)C(N)CC
CACTVS 3.385CC[CH](N)C(O)=O
OpenEye OEToolkits 1.7.6CCC(C(=O)O)N

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SMILES CANONICAL

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

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InChI

InChI 1.03InChI=1S/C4H9NO2/c1-2-3(5)4(6)7/h3H,2,5H2,1H3,(H,6,7)/t3-/m0/s1

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InChIKey

InChI 1.03QWCKQJZIFLGMSD-VKHMYHEASA-N

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SYSTEMATIC NAME

ACDLabs 12.01(2S)-2-aminobutanoic acid
OpenEye OEToolkits 1.7.6(2S)-2-azanylbutanoic acid

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PDB entries

Showing all 6 items

PDB-3a0k:
Crystal structure of an antiflamatory legume lectin from Cymbosema roseum seeds

PDB-3vnr:
Co-crystal structure of NRPS adenylation protein CytC1 with aminobutyric acid and AMP from streptomyces

PDB-4r18:
Ligand-induced Lys33-Thr1 crosslinking at subunit beta5 of the yeast 20S proteasome

PDB-6bxm:
Crystal structure of Candidatus Methanoperedens nitroreducens Dph2 with 4Fe-4S cluster and SAM/cleaved SAM

PDB-8p1w:
Crystal structure of human methionine adenosyltransferase 2A (MAT2A) in complex with allosteric compound STL232591

PDB-9jdw:
CRYSTAL STRUCTURE OF HUMAN L-ARGININE:GLYCINE AMIDINOTRANSFERASE IN COMPLEX WITH ALPHA-AMINO BUTYRIC ACID

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