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

AIB11

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

Sequence: Boc-V-A-F-Aib-V-A-F-Aib-V-A-F-Aib-OMe

Core Sequence: V-A-F-Aib-V-A-F-Aib-V-A-F-Aib

R Value: 0.1022

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

Conformation: Helical

Reference

Aravinda, S., Shamala, N., Das, C., Sriranjini, A., Karle, I. and Balaram, P. (2003). Aromatic−Aromatic Interactions in Crystal Structures of Helical Peptide Scaffolds Containing Projecting Phenylalanine Residues. Journal of the American Chemical Society, 125(18), pp.5308-5315.

Chemical Component Summary

Name of Peptide: tert-Butyloxycarbonyl-Valine-Alanine-Phenylalanine-Alpha amino iso butyric acid-Valine-Alanine-Phenylalanine-Alpha amino iso butyric acid-Valine-Alanine-Phenylalanine-Alpha amino iso butyric acid-Methyl ester
Sequence: Boc-V-A-F-Aib-V-A-F-Aib-V-A-F-Aib-OMe
Core Sequence: V-A-F-Aib-V-A-F-Aib-V-A-F-Aib
Sequence Length: 12
Molecular Weight (amu): 1337.6
Molecular Formula: C69-H100-N12O15
R Value: 0.1022
N-Terminal Modification: tert-Butyloxycarbonyl
C-Terminal Modification: Methyl ester
Conformation: Helical
Method: X - Ray Diffraction
Core Residue Involved Phi Psi Omega
Valine -50.5 -42.2 -176.8
Alanine -58.5 -40.8 -177.6
Phenylalanine -69.5 -47.1 180
Alpha amino iso butyric acid -52.2 -47.1 -178.8
Valine -63.1 -45 -178.2
Alanine -54.5 -45.7 171.2
Phenylalanine -54.3 -50.2 -179.9
Alpha amino iso butyric acid -59.8 -37.2 177.6
Valine -63.1 -47.6 -175.3
Alanine -60.9 -28.9 -175.1
Phenylalanine -103.8 -9.1 -161.9
Alpha amino iso butyric acid -68.5 165.5 173.8