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

DPA11

N-Acetyl-α,β‐dehydrophenylalanine-Valine-α,β‐dehydrophenylalanine-Phenylalanine-Alanine-Valine-α,β‐dehydrophenylalanine-Glycine-Methyl ester

Sequence: Ac-ΔF-V-ΔF-F-A-V-ΔF-G-OMe

Core Sequence: ΔF-V-ΔF-F-A-V-ΔF

R Value: 0.099

Residue Involved: α,β‐dehydrophenylalanine | Valine | α,β‐dehydrophenylalanine | Phenylalanine | Alanine | Valine | α,β‐dehydrophenylalanine

Conformation: Schellman Motif -3(10) helix

Reference

Rajashankar et al., 1995Rajashankar, K., Ramakumar, S., Jain, R. and Chauhan, V. (1995). Observation of Water-Mediated Helix-Terminating Conformation in a Dehydrophenylalanine Peptide: Crystal and Solution Structure of the Octapeptide Ac-.DELTA.Phe-Val-.DELTA.Phe-Phe-Ala-Val-.DELTA.Phe-Gly-OMe. Journal of the American Chemical Society, 117(47), pp.11773-11779.

Chemical Component Summary

Name of Peptide: N-Acetyl-α,β‐dehydrophenylalanine-Valine-α,β‐dehydrophenylalanine-Phenylalanine-Alanine-Valine-α,β‐dehydrophenylalanine-Glycine-Methyl ester
Sequence: Ac-ΔF-V-ΔF-F-A-V-ΔF-G-OMe
Core Sequence: ΔF-V-ΔF-F-A-V-ΔF
Sequence Length: 7
Molecular Weight (amu): 983.09
Molecular Formula: C54-H62-N8-O10-2H2O-C3-H6O
R Value: 0.099
N-Terminal Modification: Acetyl
C-Terminal Modification: Methyl ester
Conformation: Schellman Motif -3(10) helix
Method: X - Ray Diffraction
Core Residue Involved Phi Psi Omega
α,β‐dehydrophenylalanine -48 -31.2 178.2
Valine -56.1 -32.2 178
α,β‐dehydrophenylalanine -58.7 -24.6 -179.8
Phenylalanine -77.4 -8.8 172.2
Alanine -92.6 -14 -169.9
Valine -123.8 18.7 179.2
α,β‐dehydrophenylalanine 64.8 32.8 168.9