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- ChemComp-6HN: 6-nitro-L-norleucine -

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Basic information

EntryDatabase: PDB chemical components / ID: 6HN
NameName: 6-nitro-L-norleucine

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Chemical information

Composition
Formula: C6H12N2O4 / Number of atoms: 24 / Formula weight: 176.17 / Formal charge: 0
Others

3f80

LYS

Type: L-PEPTIDE LINKING / PDB classification: ATOMP / One letter code: K / Three letter code: 6HN / Ideal coordinates details: Corina / Model coordinates PDB-ID: 3F80 / Parent comp.: LYS
History
Create componentNov 11, 2008
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

ACDLabs 10.04[O-][N+](=O)CCCCC(N)C(=O)O
CACTVS 3.341N[CH](CCCC[N+]([O-])=O)C(O)=O
OpenEye OEToolkits 1.5.0C(CC[N+](=O)[O-])CC(C(=O)O)N

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SMILES CANONICAL

CACTVS 3.341N[C@@H](CCCC[N+]([O-])=O)C(O)=O
OpenEye OEToolkits 1.5.0C(CC[N+](=O)[O-])C[C@@H](C(=O)O)N

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InChI

InChI 1.03InChI=1S/C6H12N2O4/c7-5(6(9)10)3-1-2-4-8(11)12/h5H,1-4,7H2,(H,9,10)/t5-/m0/s1

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InChIKey

InChI 1.03LMSAJWJHQUHKSX-YFKPBYRVSA-N

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SYSTEMATIC NAME

ACDLabs 10.046-nitro-L-norleucine
OpenEye OEToolkits 1.5.0(2S)-2-amino-6-nitro-hexanoic acid

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PDB entries

Showing all 3 items

PDB-3f80:
(S)-2-amino-6-nitrohexanoic acid binds to human arginase I through multiple nitro-metal coordination interactions in the binuclear manganese cluster. Resolution 1.60 A.

PDB-9dq1:
Crystal structure of HrmJ from Streptomyces sp. CFMR 7 (HrmJ-ssc) complexed with manganese (II), 2-oxoglutarate and 6-nitronorleucine

PDB-9dq2:
Crystal structure of HrmJ from Streptomyces sp. CFMR 7 (HrmJ-ssc) complexed with vanadyl(IV)-oxo, succinate and 6-nitronorleucine

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