A manually curated database of peptides containing Dehydro-Phenyl-Alanine and Amino-Iso-Butyric Acid
Protein Data Bank[PDB] Structured Data File [SDF]

AIB5

tert-Butyloxycarbonyl-Leucine-Valine-Valine-Alpha amino iso butyric acid-Dehydro Proline-Leucine-Valine-Valine-Methyl ester

Sequence: Boc-L-V-V-Aib-ΔP-L-V-V-OMe

Core Sequence: L-V-V-Aib-ΔP-L-V-V

R Value: Unknown

Residue Involved: Leucine| Valine| Valine| Alpha amino iso butyric acid | Dehydro-Proline | Leucine| Valine| Valine

Conformation: Beta hairpin

Reference

Raghavender, U., Aravinda, S., Rai, R., Shamala, N. and Balaram, P. (2010). Peptide hairpin nucleation with the obligatory Type I' β-turn Aib-DPro segment. Organic & Biomolecular Chemistry, 8(14), p.3133.

Chemical Component Summary

Name of Peptide: tert-Butyloxycarbonyl-Leucine-Valine-Valine-Alpha amino iso butyric acid-Dehydro Proline-Leucine-Valine-Valine-Methyl ester
Sequence: Boc-L-V-V-Aib-ΔP-L-V-V-OMe
Core Sequence: L-V-V-Aib-ΔP-L-V-V
Sequence Length: 8
Molecular Weight (amu): 935
Molecular Formula: C47-H82-N8-O11
R Value: Unknown
N-Terminal Modification: tert-Butyloxycarbonyl
C-Terminal Modification: Methyl ester
Conformation: Beta hairpin
Method: NMR spectroscopy
Core Residue Involved Phi Psi Omega
Leucine 56.8 28.4 Unknown
Valine 82.8 8
Valine -100.3 16.8
Alpha amino iso butyric acid -119.9 14
Dehydro-Proline -136.5 -126.2
Leucine -140.8 -143.3
Valine -123.1 -136
Valine -79.2 -125.6