Peptide Bond Distortions from Planarity: New Insights from Quantum Mechanical Calculations and Peptide/Protein Crystal Structures
2011

Understanding Peptide Bond Distortions

publication Evidence: moderate

Author Information

Author(s): Improta Roberto, Vitagliano Luigi, Esposito Luciana, Pastore Annalisa

Primary Institution: Istituto di Biostrutture e Bioimmagini, Consiglio Nazionale delle Ricerche (CNR), Napoli, Italy

Hypothesis

The study investigates the conformational dependence of peptide bond geometry and its deviations from planarity.

Conclusion

The research indicates that small deviations from peptide bond planarity are common and primarily influenced by local factors.

Supporting Evidence

  • Quantum mechanical analysis shows that peptide bond distortions are influenced by the backbone dihedral angle.
  • Statistical surveys corroborate that deviations from planarity are common in peptide structures.
  • Local factors are the main driving force behind the observed trends in peptide bond geometry.

Takeaway

Peptide bonds in proteins can bend a little instead of being perfectly flat, and this bending is mostly caused by nearby atoms.

Methodology

The study used quantum mechanical calculations and statistical surveys of peptide/protein structure databases to analyze peptide bond geometry.

Limitations

The study may not account for all environmental factors affecting peptide bond geometry in complex protein structures.

Digital Object Identifier (DOI)

10.1371/journal.pone.0024533

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