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

AIB44

tert-Butyloxycarbonyl-Alpha amino iso butyric acid-Valine-Alpha amino iso butyric acid-Amino-iso-butyric-Valine-Valine-Valine-Alpha amino iso butyric acid-Valine-Alpha amino iso butyric acid-Methyl ester

Sequence: Boc-Aib-V-Aib-Aib-V-V-V-Aib-V-Aib-OMe

Core Sequence: Aib-V-Aib-Aib-V-V-V-Aib-V-Aib

R Value: 0.067

Residue Involved: Alpha amino iso butyric acid | Valine| Alpha amino iso butyric acid | Alpha amino iso butyric acid | Valine| Valine| Valine| Alpha amino iso butyric acid | Valine| Alpha amino iso butyric acid

Conformation: 3(10) helical

Reference

Karle, I., Flippen-Anderson, J., Uma, K., Balaram, H. and Balaram, P. (1989). Alpha-helix and mixed 3(10)/alpha-helix in cocrystallized conformers of Boc-Aib-Val-Aib-Aib-Val-Val-Val-Aib-Val-Aib-OMe. Proceedings of the National Academy of Sciences, 86(3), pp.765-769.

Chemical Component Summary

Name of Peptide: tert-Butyloxycarbonyl-Alpha amino iso butyric acid-Valine-Alpha amino iso butyric acid-Amino-iso-butyric-Valine-Valine-Valine-Alpha amino iso butyric acid-Valine-Alpha amino iso butyric acid-Methyl ester
Sequence: Boc-Aib-V-Aib-Aib-V-V-V-Aib-V-Aib-OMe
Core Sequence: Aib-V-Aib-Aib-V-V-V-Aib-V-Aib
Sequence Length: 10
Molecular Weight (amu): 1053.36 f
Molecular Formula: C51-H92-N10-O13
R Value: 0.067
N-Terminal Modification: tert-Butyloxycarbonyl
C-Terminal Modification: Methyl ester
Conformation: 3(10) helical
Method: X - Ray Diffraction
Core Residue Involved Phi Psi Omega
Alpha amino iso butyric acid -62.6 -62.8 -170.4
Valine -68.1 -44.8 -177.7
Alpha amino iso butyric acid -49.5 -51.4 -172.6
Alpha amino iso butyric acid -59.3 -43.5 -176.9
Valine -66.5 -38.1 175.6
Valine -63.2 -43 178.5
Valine -59.8 -44.9 -179.6
Alpha amino iso butyric acid -56.3 -39.3 179
Valine -66.9 -39.3 178.4
Alpha amino iso butyric acid 50.4 44.5 179.9