Conformational studies on β-bend containing a cis peptide unit

H. A. Nagarajaram, P. K C Paul, K. Ramanarayanan, K. V. Soman, C. Ramakrishnan

Research output: Contribution to journalArticle

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Abstract

Conformational studies have been carried out on the X-cis-Pro tripeptide system (a system of three linked peptide units, in the trans-cis-trans configuration) using energy minimization techniques. For X, residues Gly, L-Ala, D-Ala and L-Pro have been used. The energy minima have been classified into different groups based upon the conformational similarity. There are 15, 20, 18 and 6 minima that are possible for the four cases respectively and these fall into 11 different groups. A study of these minima shows that, (i) some minima contain hydrogen bonds - either 4 → 1 or 1 → 2 type, (ii) the low energy minima qualify themselves as bend conformations, (iii) cis' and trans' conformations are possible for the prolyl residue as also the C(γ)-endo and C(γ)-exo puckerings, and (iv) for Pro-cis-Pro, cis' at the first prolyl residue is ruled out, due to the high energy. The available crystal structure data on proteins and peptides, containing cis-Pro segment have been examined with a view to find the minima that occur in solid state. The data from protein show that they fall under two groups. The conformation at X in X-cis-Pro is near extended when it is a non-glycyl residue. In both peptides and proteins there exists a preference for trans' conformation at prolyl residue over cis' when X is a non-glycylresidue. The minima obtained can be useful in modelling studies.

Original languageEnglish (US)
Pages (from-to)383-394
Number of pages12
JournalInternational Journal of Peptide and Protein Research
Volume40
Issue number5
StatePublished - 1992
Externally publishedYes

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Conformations
Peptides
Proteins
Hydrogen
Hydrogen bonds
Crystal structure

ASJC Scopus subject areas

  • Biochemistry

Cite this

Nagarajaram, H. A., Paul, P. K. C., Ramanarayanan, K., Soman, K. V., & Ramakrishnan, C. (1992). Conformational studies on β-bend containing a cis peptide unit. International Journal of Peptide and Protein Research, 40(5), 383-394.

Conformational studies on β-bend containing a cis peptide unit. / Nagarajaram, H. A.; Paul, P. K C; Ramanarayanan, K.; Soman, K. V.; Ramakrishnan, C.

In: International Journal of Peptide and Protein Research, Vol. 40, No. 5, 1992, p. 383-394.

Research output: Contribution to journalArticle

Nagarajaram, HA, Paul, PKC, Ramanarayanan, K, Soman, KV & Ramakrishnan, C 1992, 'Conformational studies on β-bend containing a cis peptide unit', International Journal of Peptide and Protein Research, vol. 40, no. 5, pp. 383-394.
Nagarajaram HA, Paul PKC, Ramanarayanan K, Soman KV, Ramakrishnan C. Conformational studies on β-bend containing a cis peptide unit. International Journal of Peptide and Protein Research. 1992;40(5):383-394.
Nagarajaram, H. A. ; Paul, P. K C ; Ramanarayanan, K. ; Soman, K. V. ; Ramakrishnan, C. / Conformational studies on β-bend containing a cis peptide unit. In: International Journal of Peptide and Protein Research. 1992 ; Vol. 40, No. 5. pp. 383-394.
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