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- ChemComp-AVN: (2S)-AMINO[(5S)-3-CHLORO-4,5-DIHYDROISOXAZOL-5-YL]ACETIC ACID -

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Basic information

EntryDatabase: PDB chemical components / ID: AVN
NameName: (2S)-amino[(5S)-3-chloro-4,5-dihydroisoxazol-5-yl]acetic acid
Synonyms: ACIVICIN

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Chemical information

Composition
Formula: C5H7ClN2O3 / Number of atoms: 18 / Formula weight: 178.574 / Formal charge: 0
Others

2z8k

Type: L-PEPTIDE LINKING / PDB classification: ATOMP / One letter code: X / Three letter code: AVN / Ideal coordinates details: Corina / Model coordinates PDB-ID: 2Z8K
History
Create componentSep 24, 2007
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 10.04ClC1=NOC(C(C(=O)O)N)C1
CACTVS 3.341N[CH]([CH]1CC(=NO1)Cl)C(O)=O
OpenEye OEToolkits 1.5.0C1C(ON=C1Cl)C(C(=O)O)N

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SMILES CANONICAL

CACTVS 3.341N[C@@H]([C@@H]1CC(=NO1)Cl)C(O)=O
OpenEye OEToolkits 1.5.0C1[C@H](ON=C1Cl)[C@@H](C(=O)O)N

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InChI

InChI 1.03InChI=1S/C5H7ClN2O3/c6-3-1-2(11-8-3)4(7)5(9)10/h2,4H,1,7H2,(H,9,10)/t2-,4-/m0/s1

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InChIKey

InChI 1.03QAWIHIJWNYOLBE-OKKQSCSOSA-N

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SYSTEMATIC NAME

ACDLabs 10.04(2S)-amino[(5S)-3-chloro-4,5-dihydroisoxazol-5-yl]ethanoic acid
OpenEye OEToolkits 1.5.0(2S)-2-amino-2-[(5S)-3-chloro-4,5-dihydro-1,2-oxazol-5-yl]ethanoic acid

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PDB entries

Showing all 4 items

PDB-2z8k:
Crystal Structure of Escherichia coli gamma-Glutamyltranspeptidase in Complex with Acivicin

PDB-3fnm:
Crystal structure of acivicin-inhibited gamma-glutamyltranspeptidase reveals critical roles for its C-terminus in autoprocessing and catalysis

PDB-3whs:
Crystal structure of Bacillus subtilis gamma-glutamyltranspeptidase in complex with acivicin

PDB-5xlu:
High Resolution Crystal Structure of Bacillus Licheniformis Gamma Glutamyl Transpeptidase with Acivicin

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