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- ChemComp-PPQ: PHOSPHINOTHRICIN -

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Basic information

EntryDatabase: PDB chemical components / ID: PPQ
NameName: phosphinothricin / Synonyms: 2-AMINO-4-(HYDROXYMETHYL-PHOSPHINYL)BUTANOIC ACID

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Chemical information

Composition
Formula: C5H12NO4P / Number of atoms: 23 / Formula weight: 181.127 / Formal charge: 0
Others

1fpy

Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: PPQ / Model coordinates PDB-ID: 1FPY
History
Create componentSep 27, 2000
Modify descriptorJun 4, 2011
Modify synonymsJun 5, 2020
External linksUniChem / ChemSpider / BindingDB / Brenda / ChEBI / ChEMBL / KEGG_Ligand / Nikkaji / PubChem / PubChem_TPharma / SureChEMBL / 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 10.04O=P(O)(C)CCC(C(=O)O)N
CACTVS 3.341C[P](O)(=O)CC[CH](N)C(O)=O
OpenEye OEToolkits 1.5.0CP(=O)(CCC(C(=O)O)N)O

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SMILES CANONICAL

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

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InChI

InChI 1.03InChI=1S/C5H12NO4P/c1-11(9,10)3-2-4(6)5(7)8/h4H,2-3,6H2,1H3,(H,7,8)(H,9,10)/t4-/m0/s1

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InChIKey

InChI 1.03IAJOBQBIJHVGMQ-BYPYZUCNSA-N

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SYSTEMATIC NAME

ACDLabs 10.04(2S)-2-amino-4-[(R)-hydroxy(methyl)phosphoryl]butanoic acid
OpenEye OEToolkits 1.5.0(2S)-2-amino-4-(hydroxy-methyl-phosphoryl)butanoic acid

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PDB entries

Showing all 5 items

PDB-1fpy:
CRYSTAL STRUCTURE OF GLUTAMINE SYNTHETASE FROM SALMONELLA TYPHIMURIUM WITH INHIBITOR PHOSPHINOTHRICIN

PDB-5t7e:
Crystal structure of Streptomyces hygroscopicus Bialaphos Resistance (BAR) protein in complex with Coenzyme A and L-phosphinothricin

PDB-5zlp:
Crystal structure of glutamine synthetase from helicobacter pylori

PDB-6m7g:
Crystal structure of ArsN, N-acetyltransferase with substrate phosphinothricin from Pseudomonas putida KT2440

PDB-9igl:
Crystal structure of P. syringae phosphinothricin acetyltransferase PSPTO_3321 in complex with L-phosphinothricin

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