creators_name: Kumar, Nigam
creators_name: Venugopalan, P
creators_name: Kishore, Raghuvansh
type: article
datestamp: 2011-12-08 19:17:05
lastmod: 2015-01-09 10:43:48
metadata_visibility: show
title: Crystallographically observed folded topology of an unsubstituted γ-aminobutyric acid incorporated in a model peptide: importance of a C--H···O interaction.
ispublished: pub
subjects: QD
full_text_status: restricted
keywords: unsubstituted g-aminobutyric acid; unusual
folded conformation; X-ray diffraction; FT-IR;
hydrogen bonded structure
note: Copyright of this article belongs to Wiley
abstract: To validate the existing hypothesis put forward by Navarro et al., we performed single crystal X-ray diffraction structural analysis of a designed model peptide incorporating an unsubstituted achiral γ-aminobutyric acid: Boc-Pro-γ-Abu-OH (1) lacking C-terminal amide group. The analysis established existence of an overall unusual tightly folded topology stabilized by a conventional N(i)···H--N(i + 1) and an unconventional C(i)--H···O(i) type intramolecular hydrogen bonding interactions, encompassing a five-membered and a six-membered ring motifs, respectively. Moreover, in conjunction with Fourier transform infrared (FT-IR) absorption study in solid KBr, the results provided evidence that two conventional and one unconventional noncovalent intermolecular interaction stabilize a right-handed helical architecture generated via molecular self-assembly by translating the symmetry related molecules along the crystallographic b axis. © 2010 Wiley Periodicals, Inc. Biopolymers 93: 927-931, 2010.
date: 2010-11
date_type: published
publication: Biopolymers
volume: 93
number: 11
publisher: Wiley
pagerange: 927-31
refereed: TRUE
issn: 0006-3525
official_url: http://onlinelibrary.wiley.com/doi/10.1002/bip.21511/pdf
related_url_url: http://onlinelibrary.wiley.com/doi/10.1002/bip.21511/pdf
related_url_type: pub
citation:   Kumar, Nigam and Venugopalan, P and Kishore, Raghuvansh  (2010) Crystallographically observed folded topology of an unsubstituted γ-aminobutyric acid incorporated in a model peptide: importance of a C--H···O interaction.  Biopolymers, 93 (11).  pp. 927-31.  ISSN 0006-3525     
document_url: http://crdd.osdd.net/open/513/1/kishore10.pdf