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

AIB18

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

Sequence: Boc-M-L-F-A-L-Aib-A-L-Aib-OMe

Core Sequence: M-L-F-A-L-Aib-A-L-Aib

R Value: Unknown

Residue Involved: Methionine | Leucine| Phenylalanine| Alanine| Leucine| Alpha amino iso butyric acid | Alanine| Leucine| Alpha amino iso butyric acid

Conformation: Helical

Reference

Konnert, J., Karle, J., Karle, I., Uma, K. and Balaram, P. (1999). Isomorphous replacement combined with anomalous dispersion in the linear equations: application to a crystal containing four nonapeptide conformers. Acta Crystallographica Section D Biological Crystallography, 55(2), pp.448-457.

Chemical Component Summary

Name of Peptide: tert-Butyloxycarbonyl-Methionine-Leucine-Phenylalanine-Alanine-Leucine-Alpha amino iso butyric acid-Alanine-Leucine-Alpha amino iso butyric acid-Methyl ester
Sequence: Boc-M-L-F-A-L-Aib-A-L-Aib-OMe
Core Sequence: M-L-F-A-L-Aib-A-L-Aib
Sequence Length: 9
Molecular Weight (amu): 1062
Molecular Formula: C52-H87-N9-O12-S1
R Value: Unknown
N-Terminal Modification: tert-Butyloxycarbonyl
C-Terminal Modification: Methyl ester
Conformation: Helical
Method: X - Ray Diffraction
Core Residue Involved Phi Psi Omega
Methionine -69 -39 -170
Leucine -64 -44 -180
Phenylalanine -50 -55 174
Alanine -64 -45 -170
Leucine -72 -41 -176
Alpha amino iso butyric acid -54 -45 178
Alanine -64 -36 -174
Leucine -86 -32 -172
Alpha amino iso butyric acid 169 -144 -176