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- ChemComp-TPO: PHOSPHOTHREONINE -

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Basic information

EntryDatabase: PDB chemical components / ID: TPO
NameName: phosphothreonine / Synonyms: PHOSPHONOTHREONINE

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Chemical information

Composition
Formula: C4H10NO6P / Number of atoms: 22 / Formula weight: 199.099 / Formal charge: 0
Others

1fmo

THR

Type: L-PEPTIDE LINKING / PDB classification: ATOMP / One letter code: T / Three letter code: TPO / Model coordinates PDB-ID: 1FMO / Parent comp.: THR
History
Create componentJul 8, 1999
Modify descriptorJun 4, 2011
Modify synonymsJun 5, 2020
Modify backboneNov 3, 2023
External linksUniChem / ChemSpider / Brenda / ChEBI / ChemicalBook / HMDB / KEGG_Ligand / Metabolights / NMRShiftDB / 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)(O)OC(C(N)C(=O)O)C
CACTVS 3.341C[CH](O[P](O)(O)=O)[CH](N)C(O)=O
OpenEye OEToolkits 1.5.0CC(C(C(=O)O)N)OP(=O)(O)O

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SMILES CANONICAL

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

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InChI

InChI 1.03InChI=1S/C4H10NO6P/c1-2(3(5)4(6)7)11-12(8,9)10/h2-3H,5H2,1H3,(H,6,7)(H2,8,9,10)/t2-,3+/m1/s1

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InChIKey

InChI 1.03USRGIUJOYOXOQJ-GBXIJSLDSA-N

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SYSTEMATIC NAME

ACDLabs 10.04O-phosphono-L-threonine
OpenEye OEToolkits 1.5.0(2S,3R)-2-amino-3-phosphonooxy-butanoic acid

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PDB entries

Showing all 4 items

PDB-1lc7:
Crystal Structure of L-Threonine-O-3-phosphate Decarboxylase from S. enterica complexed with a substrate

PDB-2w08:
The structure of serum amyloid P component bound to 0-phospho- threonine

PDB-6qdu:
Crystal structure of 14-3-3sigma in complex with a RapGef2 pT740 phosphopeptide inhibited by semi-synthetic fusicoccane FC-NCPC

PDB-8hpo:
Cryo-EM structure of a SIN3/HDAC complex from budding yeast

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