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

AIB8

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

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

Core Sequence: L-Aib-V-A-L-Aib-V-A-L-Aib

R Value: Unknown

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

Conformation: 3(10) helical

Reference

Aravinda, S., Datta, S., Shamala, N. and Balaram, P. (2004). Hydrogen-Bond Lengths in Polypeptide Helices: No Evidence for Short Hydrogen Bonds. Angewandte Chemie International Edition, 43(48), pp.6728-6731.

Chemical Component Summary

Name of Peptide: tert-Butyloxycarbonyl-Leucine-Alpha amino iso butyric acid-Valine-Alanine-Leucine-Alpha amino iso butyric acid-Valine-Alanine-Leucine-Alpha amino iso butyric acid-Methyl ester
Sequence: Boc-L-Aib-V-A-L-Aib-V-A-L-Aib-OMe
Core Sequence: L-Aib-V-A-L-Aib-V-A-L-Aib
Sequence Length: 10
Molecular Weight (amu): 1067
Molecular Formula: C52-H94-N10-O13
R Value: Unknown
N-Terminal Modification: tert-Butyloxycarbonyl
C-Terminal Modification: Methyl ester
Conformation: 3(10) helical
Method: NMR spectroscopy
Core Residue Involved Phi Psi Omega
Leucine -74.1 -49.5 -178
Alpha amino iso butyric acid -55.9 -43.7 -175.7
Valine -69.3 -41.3 176.6
Alanine -58.5 -41.4 179.2
Leucine -68.1 -40.7 175.4
Alpha amino iso butyric acid -52.7 -49 -174.9
Valine -68 -40.8 177.6
Alanine -59.1 -42.7 179.1
Leucine -67.2 -40.5 -176.9
Alpha amino iso butyric acid 55.4 36.8 179.1