Skip navigation
Please use this identifier to cite or link to this item: http://repository.iitr.ac.in/handle/123456789/26959
Title: Design rules for peptides with α, β-dehydro-residues: Synthesis of a model peptide Boc-Ile-ΔAla-OCH3 and its crystal structures obtained from two different solvents
Authors: Dey S.
Vijayaraghavan R.
Goel V.K.
Kumar S.
Kumar, Pravindra R.Manish
Singh T.P.
Published in: Journal of Molecular Structure
Abstract: The peptide Boc-Ile-ΔAla-OCH3 was synthesized and its three dimensional structure was determined using crystals grown under two different conditions using solvents (a) ethyl acetate and (b) an 80:20 mixture of dichloromethane and heptane. In the first case, the peptide crystallized in space group P21 with six crystallographically independent molecules while in the second condition the peptide crystallized in space group P32 with four molecules in the asymmetric unit. In both structures the conformations of all the crystallographically independent molecules were almost identical. ΔAla adopted a planar conformation with the φ torsion angle having values centred at ±180°in all the molecules. The crystal structures in two different crystalline states showed that ΔAla induced a distorted inverse γ-turn in the preceding residue with φ and ψ torsions centred at 100(1) and -125(1)°, respectively. The molecular packing in both crystal forms generated the sheet-like structures that were stabilized by intermolecular hydrogen bonds between the layers of molecules. © 2004 Elsevier B.V. All rights reserved.
Citation: Journal of Molecular Structure, 737(44622): 109-116
URI: https://doi.org/10.1016/j.molstruc.2004.10.011
http://repository.iitr.ac.in/handle/123456789/26959
Issue Date: 2005
Keywords: ΔAla residue
Conformation
Crystal structure
Peptide design
X-ray diffraction
ISSN: 222860
Author Scopus IDs: 7402866304
8727674700
35511827600
57221317929
55064809000
57218945130
Author Affiliations: Dey, S., Department of Biophysics, All India Inst. of Medical Sciences, Ansari Nagar, New Delhi 110029, India
Vijayaraghavan, R., Department of Biophysics, All India Inst. of Medical Sciences, Ansari Nagar, New Delhi 110029, India
Goel, V.K., Department of Biophysics, All India Inst. of Medical Sciences, Ansari Nagar, New Delhi 110029, India
Kumar, S., Department of Biophysics, All India Inst. of Medical Sciences, Ansari Nagar, New Delhi 110029, India
Kumar, P., Department of Biophysics, All India Inst. of Medical Sciences, Ansari Nagar, New Delhi 110029, India
Singh, T.P., Department of Biophysics, All India Inst. of Medical Sciences, Ansari Nagar, New Delhi 110029, India
Funding Details: The financial assistance under the FIST programme of DST is gratefully acknowledged. V. K. Goel thanks Council of Scientific and Industrial Research (CSIR), New Delhi for the award of a fellowship. Department of Science and Technology, Ministry of Science and Technology, India, DST; Bangladesh Council of Scientific and Industrial Research, BCSIR
Corresponding Author: Singh, T.P.; Department of Biophysics, , Ansari Nagar, New Delhi 110029, India; email: tps@aiims.aiims.ac.in
Appears in Collections:Journal Publications [BT]

Files in This Item:
There are no files associated with this item.
Show full item record


Items in Repository are protected by copyright, with all rights reserved, unless otherwise indicated.