Geometry of proline and hydroxyproline I: An analysis of X-ray crystal structure data

Geometry of proline and hydroxyproline I: An analysis of X-ray crystal structure data

We have carried out an analysis of crystal structure data on prolyl and hydroxyprolyl moieties in small molecules. The flexibility of the pyrrolidine ring due to the pyramidal character of nitrogen has been defined in terms of two projection angles δ 1 and δ 2. The distribution of these parameters i...

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Veröffentlicht in:Biochemical and biophysical research communications 1986-11, Vol.140 (3), p.895-900
Hauptverfasser: Balaji, V.N., Rao, M.Jagannatha, Rao, Shashidhar N., Dietrich, Stephen W., Sasisekharan, V.
Format: Artikel
Sprache:eng
Schlagworte:
Applied sciences
crystal structure
Exact sciences and technology
Hydroxyproline
Molecular Conformation
Nitrogen
Other techniques and industries
Proline
X-ray crystallography
X-Ray Diffraction
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Zusammenfassung:We have carried out an analysis of crystal structure data on prolyl and hydroxyprolyl moieties in small molecules. The flexibility of the pyrrolidine ring due to the pyramidal character of nitrogen has been defined in terms of two projection angles δ 1 and δ 2. The distribution of these parameters in the crystal structures is found to be consistent with results of the energy calculations carried out on prolyl moieties in our laboratory.
ISSN:0006-291X
1090-2104
DOI:10.1016/0006-291X(86)90719-9