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- ChemComp-LY0: (2R)-3-[(R)-[(1R)-1-aminoethyl](hydroxy)phosphoryl]-2-methylpropa... -

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Basic information

EntryDatabase: PDB chemical components / ID: LY0
NameName: (2R)-3-[(R)-[(1R)-1-aminoethyl](hydroxy)phosphoryl]-2-methylpropanoic acid

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Chemical information

Composition
Formula: C6H14NO4P / Number of atoms: 26 / Formula weight: 195.153 / Formal charge: 0
Others

3ly0

Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: LY0 / Ideal coordinates details: Corina / Model coordinates PDB-ID: 3LY0
History
Create componentFeb 26, 2010
Modify descriptorJun 4, 2011
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

CACTVS 3.352C[CH](N)[P](O)(=O)C[CH](C)C(O)=O
OpenEye OEToolkits 1.7.0CC(CP(=O)(C(C)N)O)C(=O)O

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SMILES CANONICAL

CACTVS 3.352C[C@H](N)[P](O)(=O)C[C@H](C)C(O)=O
OpenEye OEToolkits 1.7.0C[C@@H](C[P@](=O)([C@H](C)N)O)C(=O)O

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InChI

InChI 1.03InChI=1S/C6H14NO4P/c1-4(6(8)9)3-12(10,11)5(2)7/h4-5H,3,7H2,1-2H3,(H,8,9)(H,10,11)/t4-,5+/m0/s1

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InChIKey

InChI 1.03XXVGIEKADYFHOF-CRCLSJGQSA-N

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SYSTEMATIC NAME

OpenEye OEToolkits 1.6.1(2R)-3-[[(1R)-1-azanylethyl]-hydroxy-phosphoryl]-2-methyl-propanoic acid

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PDB entries

Showing all 3 items

PDB-3ly0:
Crystal structure of metallo peptidase from Rhodobacter sphaeroides liganded with phosphinate mimic of dipeptide L-Ala-D-Ala

PDB-4muq:
Crystal Structure of Vancomycin Resistance D,D-dipeptidase VanXYg in complex with D-Ala-D-Ala phosphinate analog

PDB-4mus:
Crystal structure of vancomycin resistance D,D-dipeptidase/D,D-pentapeptidase VanXYc D59S mutant in complex with D-Ala-D-Ala phosphinate analog

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