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

AIB12

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

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

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

R Value: 0.0768

Residue Involved: Alpha amino iso butyric acid | Alanine| Phenylalanine| Alpha amino iso butyric acid | Phenylalanine| Alanine| Valine| Alpha amino iso butyric acid | 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-Alpha amino iso butyric acid-Alanine-Phenylalanine-Alpha amino iso butyric acid-Phenylalanine-Alanine-Valine-Alpha amino iso butyric acid-Phenylalanine-Alpha amino iso butyric acid-Methyl ester
Sequence: Boc-Aib-A-F-Aib-F-A-V-Aib-F-Aib-OMe
Core Sequence: Aib-A-F-Aib-F-A-V-Aib-F-Aib
Sequence Length: 10
Molecular Weight (amu): 1918.2
Molecular Formula: 2C47-H70-N8-O11-4H2-O
R Value: 0.0768
N-Terminal Modification: tert-Butyloxycarbonyl
C-Terminal Modification: Methyl ester
Conformation: Helical
Method: X - Ray Diffraction
Core Residue Involved Phi Psi Omega
Alpha amino iso butyric acid -53.2 -35.8 -176.6
Alanine -57 -28.8 -178.6
Phenylalanine -61.8 -38 179.8
Alpha amino iso butyric acid -53.7 -44.4 -178.8
Phenylalanine -68.3 -30.9 -179.6
Alanine -109.8 -21.5 -179.9
Valine -66.9 -7.8 -172.6
Alpha amino iso butyric acid Unmeasured 161.1 168.6
Phenylalanine Unmeasured Unmeasured
Alpha amino iso butyric acid Unmeasured Unmeasured