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

DPA41

tert-Butyloxycarbonyl-Valine-α,β‐dehydrophenylalanine-Phenylalanine-Alanine-Phenylalanine-α,β‐dehydrophenylalanine-Valine-α,β‐dehydrophenylalanine-Glycine-Methyl ester

Sequence: Boc-V-ΔF-F-A-F-ΔF-V-ΔF-G-OMe

Core Sequence: V-ΔF-F-A-F-ΔF-V-ΔF-G

R Value: 0.055

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

Conformation: Type III β‐bend

Reference

Rajashankar, K., Ramakumar, S. and Chauhan, V. (1992). Design of a helical motif using .alpha.,.beta.-dehydrophenylalanine residues: crystal structure of Boc-Val-.DELTA.Phe-Phe-Ala-Phe-.DELTA.Phe-Val-.DELTA.PHe-Gly-OCH3, a 310-helical nonapeptide. Journal of the American Chemical Society, 114(23), pp.9225-9226.

Chemical Component Summary

Name of Peptide: tert-Butyloxycarbonyl-Valine-α,β‐dehydrophenylalanine-Phenylalanine-Alanine-Phenylalanine-α,β‐dehydrophenylalanine-Valine-α,β‐dehydrophenylalanine-Glycine-Methyl ester
Sequence: Boc-V-ΔF-F-A-F-ΔF-V-ΔF-G-OMe
Core Sequence: V-ΔF-F-A-F-ΔF-V-ΔF-G
Sequence Length: 9
Molecular Weight (amu): 1188.403
Molecular Formula: C66H77N9O12
R Value: 0.055
N-Terminal Modification: tert-Butyloxycarbonyl
C-Terminal Modification: Methyl ester
Conformation: Type III β‐bend
Method: X - Ray Diffraction
Core Residue Involved Phi Psi Omega
Valine -70.1 -29 174
α,β‐dehydrophenylalanine -58.8 -23.9 176.6
Phenylalanine -68 -16.3 175.4
Alanine -59.8 -22.8 175.9
Phenylalanine -60.7 -16.8 167.7
α,β‐dehydrophenylalanine -46.4 -25.1 -179.6
Valine -68.6 -15.4 170.1
α,β‐dehydrophenylalanine -54.6 -35.1 -172.7
Glycine 154.1 Unmeasured Unmeasured