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- ChemComp-DPR: D-PROLINE -

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Basic information

EntryDatabase: PDB chemical components / ID: DPR
NameName: D-proline

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Chemical information

Composition
Formula: C5H9NO2 / Number of atoms: 17 / Formula weight: 115.13 / Formal charge: 0
OthersType: D-PEPTIDE LINKING / PDB classification: ATOMP / One letter code: P / Three letter code: DPR / Ideal coordinates details: Corina
History
Create componentJul 8, 1999
Modify leaving atom flagNov 22, 2010
Modify descriptorJun 4, 2011
Modify backboneNov 3, 2023
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 12.01O=C(O)C1NCCC1
CACTVS 3.370OC(=O)[CH]1CCCN1
OpenEye OEToolkits 1.7.0C1CC(NC1)C(=O)O

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SMILES CANONICAL

CACTVS 3.370OC(=O)[C@H]1CCCN1
OpenEye OEToolkits 1.7.0C1C[C@@H](NC1)C(=O)O

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InChI

InChI 1.03InChI=1S/C5H9NO2/c7-5(8)4-2-1-3-6-4/h4,6H,1-3H2,(H,7,8)/t4-/m1/s1

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InChIKey

InChI 1.03ONIBWKKTOPOVIA-SCSAIBSYSA-N

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SYSTEMATIC NAME

ACDLabs 12.01D-proline
OpenEye OEToolkits 1.7.0(2R)-pyrrolidine-2-carboxylic acid

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PDB entries

Showing all 5 items

PDB-1mcj:
PRINCIPLES AND PITFALLS IN DESIGNING SITE DIRECTED PEPTIDE LIGANDS

PDB-2ej6:
Crystal analysis of delta1-pyrroline-5-carboxylate dehydrogenase from Thermus thermophilus with bound D-proline

PDB-6x99:
Structure of proline utilization A with D-proline bound in the L-glutamate-gamma-semialdehyde dehydrogenase active site

PDB-8oxx:
Transglutaminase 3 in complex with inhibitor Z-don and DH patient-derived Fab DH63-B02

PDB-9u3d:
Monomeric sarcosine oxidase from Bacillus sp. (SoxB) complexed with D-Proline

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