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- ChemComp-UY7: (4S)-4-hydroxy-D-proline -

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ID or keywords:

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Basic information

EntryDatabase: PDB chemical components / ID: UY7
NameName: (4S)-4-hydroxy-D-proline

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Chemical information

Composition
Formula: C5H9NO3 / Number of atoms: 18 / Formula weight: 131.13 / Formal charge: 0
Others

6x9a

Type: D-peptide linking / PDB classification: ATOMP / Three letter code: UY7 / Ideal coordinates details: Corina / Model coordinates PDB-ID: 6X9A
History
Create componentJun 4, 2020
Initial releaseDec 30, 2020
External linksUniChem / ChemSpider / Brenda / ChEBI / ChemicalBook / 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 12.01C1C(O)CNC1C(O)=O
CACTVS 3.385O[CH]1CN[CH](C1)C(O)=O
OpenEye OEToolkits 2.0.7C1C(CNC1C(=O)O)O

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SMILES CANONICAL

CACTVS 3.385O[C@@H]1CN[C@H](C1)C(O)=O
OpenEye OEToolkits 2.0.7C1[C@@H](CN[C@H]1C(=O)O)O

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InChI

InChI 1.03InChI=1S/C5H9NO3/c7-3-1-4(5(8)9)6-2-3/h3-4,6-7H,1-2H2,(H,8,9)/t3-,4+/m0/s1

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InChIKey

InChI 1.03PMMYEEVYMWASQN-IUYQGCFVSA-N

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SYSTEMATIC NAME

ACDLabs 12.01(4S)-4-hydroxy-D-proline
OpenEye OEToolkits 2.0.7(2~{R},4~{S})-4-oxidanylpyrrolidine-2-carboxylic acid

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PDB entries

Showing all 3 items

PDB-6x9a:
Structure of proline utilization A with trans-4-hydroxy-D-proline bound in the L-glutamate-gamma-semialdehyde dehydrogenase active site

PDB-7mes:
Structure of ALDH4A1 complexed with trans-4-Hydroxy-D-proline

PDB-7vua:
Anaerobic hydroxyproline degradation involving C-N cleavage by a glycyl radical enzyme

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