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- ChemComp-1J1: N~6~-[(2R)-3,4-dihydro-2H-pyrrol-2-ylcarbonyl]-L-lysine -

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Basic information

EntryDatabase: PDB chemical components / ID: 1J1
NameName: N~6~-[(2R)-3,4-dihydro-2H-pyrrol-2-ylcarbonyl]-L-lysine
Synonyms: pyrroline-carboxy-lysine; PCL

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Chemical information

Composition
Formula: C11H19N3O3 / Number of atoms: 36 / Formula weight: 241.287 / Formal charge: 0
Others

4j4h

Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: 1J1 / Ideal coordinates details: Corina / Model coordinates PDB-ID: 4J4H
History
Create componentFeb 11, 2013
Initial releaseJun 12, 2013
Modify synonymsMay 26, 2020
External linksUniChem / ChemSpider / ChEBI / Nikkaji / PubChem / 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(NCCCCC(C(=O)O)N)C1N=CCC1
CACTVS 3.370N[CH](CCCCNC(=O)[CH]1CCC=N1)C(O)=O
OpenEye OEToolkits 1.7.6C1CC(N=C1)C(=O)NCCCCC(C(=O)O)N

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SMILES CANONICAL

CACTVS 3.370N[C@@H](CCCCNC(=O)[C@H]1CCC=N1)C(O)=O
OpenEye OEToolkits 1.7.6C1C[C@@H](N=C1)C(=O)NCCCC[C@@H](C(=O)O)N

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InChI

InChI 1.03InChI=1S/C11H19N3O3/c12-8(11(16)17)4-1-2-6-14-10(15)9-5-3-7-13-9/h7-9H,1-6,12H2,(H,14,15)(H,16,17)/t8-,9+/m0/s1

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InChIKey

InChI 1.03HFVPBQOSFYXKQZ-DTWKUNHWSA-N

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SYSTEMATIC NAME

ACDLabs 12.01N~6~-[(2R)-3,4-dihydro-2H-pyrrol-2-ylcarbonyl]-L-lysine
OpenEye OEToolkits 1.7.6(2S)-2-azanyl-6-[[(2R)-3,4-dihydro-2H-pyrrol-2-yl]carbonylamino]hexanoic acid

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PDB entries

Showing all 2 items

PDB-4j49:
PylD holoenzyme soaked with L-lysine-Ne-D-ornithine

PDB-4j4h:
PylD in complex with pyrroline-carboxy-lysine and NADH

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