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

AIB14

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: Unknown

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): 1053.35 + 18
Molecular Formula: C51-H92-N10-O13-H2-O
R Value: Unknown
N-Terminal Modification: tert-Butyloxycarbonyl
C-Terminal Modification: Methyl ester
Conformation: Alpha helical
Method: X - Ray Diffraction
Core Residue Involved Phi Psi Omega
Leucine -65.3 -29.5 -178.7
Alpha amino iso butyric acid -55.7 -42.2 -179.2
Valine -79.9 -46.1 179.7
Leucine -60.2 -44.3 -176.6
Alpha amino iso butyric acid -56 -38.8 -179.9
Valine -96.8 -39 -172.9
Dehydro-Alanine 85.1 -8.5 -186.9
Dehydro-Leucine 126.8 30.8 167.8
Alpha amino iso butyric acid 51.5 155.7 -163.6