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

AIB10

tert-Butyloxycarbonyl-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-OMe

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

R Value: 0.0588

Residue Involved: 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-Methyl ester
Sequence: Boc-V-A-F-Aib-V-A-F-Aib-OMe
Core Sequence: V-A-F-Aib-V-A-F-Aib
Sequence Length: 8
Molecular Weight (amu): 9371.1
Molecular Formula: C48-H72-N8O11
R Value: 0.0588
N-Terminal Modification: tert-Butyloxycarbonyl
C-Terminal Modification: Methyl ester
Conformation: Helical
Method: X - Ray Diffraction
Core Residue Involved Phi Psi Omega
Valine -55.8 -37.6 -179.7
Alanine -56.4 -38.4 176
Phenylalanine -69.7 -45 179.3
Alpha amino iso butyric acid -51.3 -46.0 -177.6
Valine -63.3 -44.9 -179.7
Alanine -64.5 -39.2 -179.6
Phenylalanine 51 -44.3 170.5
Alpha amino iso butyric acid 49.1 171.3