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

AIB15

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

Sequence: Boc-L-Aib-V-L-Aib-V-ΔA-ΔL-Aib-OMe

Core Sequence: L-Aib-V-L-Aib-V-ΔA-ΔL-Aib

R Value: 0.1064

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

Conformation: Alpha helical

Reference

Aravinda, S., Shamala, N., Bandyopadhyay, A. and Balaram, P. (2003). Probing the Role of the C−H···O Hydrogen Bond Stabilized Polypeptide Chain Reversal at the C-terminus of Designed Peptide Helices. Structural Characterization of Three Decapeptides. Journal of the American Chemical Society, 125(49), pp.15065-15075.

Chemical Component Summary

Name of Peptide: tert-Butyloxycarbonyl-Leucine-Alpha amino iso butyric acid-Valine-Leucine-Alpha amino iso butyric acid-Valine-Dehydro Alanine-Dehydro Leucine-Alpha amino iso butyric acid-Methyl ester
Sequence: Boc-L-Aib-V-L-Aib-V-ΔA-ΔL-Aib-OMe
Core Sequence: L-Aib-V-L-Aib-V-ΔA-ΔL-Aib
Sequence Length: 9
Molecular Weight (amu): 1081.4 + 18
Molecular Formula: C53-H96-N10-O13-H2-O
R Value: 0.1064
N-Terminal Modification: tert-Butyloxycarbonyl
C-Terminal Modification: Methyl ester
Conformation: Alpha helical
Method: X - Ray Diffraction
Core Residue Involved Phi Psi Omega
Leucine -57.3 -39.1 -174.9
Alpha amino iso butyric acid -57.7 -34.3 174.4
Valine -80.8 -44.9 -175.8
Leucine -53 -41.1 -173.1
Alpha amino iso butyric acid -101.8 7.1 173.2
Valine 51.6 42.8 -179.4
Dehydro-Alanine 42.5 40 178.6
Dehydro-Leucine 66.8 15.7 179.9
Alpha amino iso butyric acid 84.7 35 159