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- ChemComp-PAO: N-(PHOSPHONOACETYL)-L-ORNITHINE -

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Basic information

EntryDatabase: PDB chemical components / ID: PAO
NameName: N-(phosphonoacetyl)-L-ornithine

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Chemical information

Composition
Formula: C7H15N2O6P / Number of atoms: 31 / Formula weight: 254.178 / Formal charge: 0
Others

1oth

Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: PAO / Model coordinates PDB-ID: 1OTH
History
Create componentJul 8, 1999
Modify descriptorJun 4, 2011
External linksUniChem / ChemSpider / Brenda / ChEMBL / DrugBank / Nikkaji / PubChem / 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 10.04O=C(NCCCC(C(=O)O)N)CP(=O)(O)O
CACTVS 3.341N[CH](CCCNC(=O)C[P](O)(O)=O)C(O)=O
OpenEye OEToolkits 1.5.0C(CC(C(=O)O)N)CNC(=O)CP(=O)(O)O

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SMILES CANONICAL

CACTVS 3.341N[C@@H](CCCNC(=O)C[P](O)(O)=O)C(O)=O
OpenEye OEToolkits 1.5.0C(C[C@@H](C(=O)O)N)CNC(=O)CP(=O)(O)O

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InChI

InChI 1.03InChI=1S/C7H15N2O6P/c8-5(7(11)12)2-1-3-9-6(10)4-16(13,14)15/h5H,1-4,8H2,(H,9,10)(H,11,12)(H2,13,14,15)/t5-/m0/s1

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InChIKey

InChI 1.03FCIHAQFHXJOLIF-YFKPBYRVSA-N

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SYSTEMATIC NAME

ACDLabs 10.04N~5~-(phosphonoacetyl)-L-ornithine
OpenEye OEToolkits 1.5.0(2S)-2-amino-5-(2-phosphonoethanoylamino)pentanoic acid

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PDB entries

Showing all 5 items

PDB-1oth:
CRYSTAL STRUCTURE OF HUMAN ORNITHINE TRANSCARBAMOYLASE COMPLEXED WITH N-PHOSPHONACETYL-L-ORNITHINE

PDB-2otc:
ORNITHINE TRANSCARBAMOYLASE COMPLEXED WITH N-(PHOSPHONACETYL)-L-ORNITHINE

PDB-4a8p:
Crystal structure of putrescine transcarbamylase from Enterococcus faecalis with N5-(phosphonoacetyl)-L-ornithine

PDB-4a8t:
Crystal structure of putrescine transcarbamylase from Enterococcus faecalis lacking its C-terminal Helix, with bound N5-(phosphonoacetyl) -L-ornithine

PDB-4am8:
Crystal structure of the R54G mutant of putrescine transcarbamylase from Enterococcus faecalis bound to a curing guanidinium ion

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