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- ChemComp-PCP: 1-ALPHA-PYROPHOSPHORYL-2-ALPHA,3-ALPHA-DIHYDROXY-4-BETA-CYCLOPENT... -

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Basic information

EntryDatabase: PDB chemical components / ID: PCP
NameName: 1-alpha-pyrophosphoryl-2-alpha,3-alpha-dihydroxy-4-beta-cyclopentane-methanol-5-phosphate
Synonyms: CARBOXYLIC PRPP; CPRPP

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Chemical information

Composition
Formula: C6H15O13P3 / Number of atoms: 37 / Formula weight: 388.097 / Formal charge: 0
Others

1a95

Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: PCP / Model coordinates PDB-ID: 1A96,1A95
History
Create componentJul 8, 1999
Modify descriptorJun 4, 2011
Modify synonymsJun 5, 2020
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 10.04O=P(OC1CC(C(O)C1O)COP(=O)(O)O)(O)OP(=O)(O)O
CACTVS 3.341O[CH]1[CH](O)[CH](C[CH]1CO[P](O)(O)=O)O[P](O)(=O)O[P](O)(O)=O
OpenEye OEToolkits 1.5.0C1C(C(C(C1OP(=O)(O)OP(=O)(O)O)O)O)COP(=O)(O)O

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SMILES CANONICAL

CACTVS 3.341O[C@H]1[C@@H](O)[C@H](C[C@@H]1CO[P](O)(O)=O)O[P@@](O)(=O)O[P](O)(O)=O
OpenEye OEToolkits 1.5.0C1[C@@H]([C@H]([C@H]([C@H]1O[P@](=O)(O)OP(=O)(O)O)O)O)COP(=O)(O)O

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InChI

InChI 1.03InChI=1S/C6H15O13P3/c7-5-3(2-17-20(9,10)11)1-4(6(5)8)18-22(15,16)19-21(12,13)14/h3-8H,1-2H2,(H,15,16)(H2,9,10,11)(H2,12,13,14)/t3-,4+,5-,6+/m1/s1

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InChIKey

InChI 1.03OICBXEWBKALHHB-MOJAZDJTSA-N

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SYSTEMATIC NAME

ACDLabs 10.04(1S,2R,3R,4R)-2,3-dihydroxy-4-[(phosphonooxy)methyl]cyclopentyl trihydrogen diphosphate
OpenEye OEToolkits 1.5.0[(1S,2R,3R,4R)-2,3-dihydroxy-4-(phosphonooxymethyl)cyclopentyl] phosphono hydrogen phosphate

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PDB entries

Showing all 6 items

PDB-1a95:
XPRTASE FROM E. COLI COMPLEXED WITH MG:CPRPP AND GUANINE

PDB-1a96:
XPRTASE FROM E. COLI WITH BOUND CPRPP AND XANTHINE

PDB-1ecc:
ESCHERICHIA COLI GLUTAMINE PHOSPHORIBOSYLPYROPHOSPHATE (PRPP) AMIDOTRANSFERASE COMPLEXED WITH MN-CPRPP AND 5-OXO-NORLEUCINE

PDB-1p4a:
Crystal Structure of the PurR complexed with cPRPP

PDB-1yte:
Crystal structure of a nicotinate phosphoribosyltransferase from Thermoplasma acidophilum, phosphoribosylpyrophosphate bound structure

PDB-2i14:
Crystal structure of nicotinate-nucleotide pyrophosphorylase from Pyrococcus furiosus

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