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Crystal and molecular structure of L-histidyl-L-serine trihydrate: occurrence of C-alpha-H - O=C hydrogen bond motif similar to the motif in collagen triple helix and beta-sheets

Padiyar, GS (1998) Crystal and molecular structure of L-histidyl-L-serine trihydrate: occurrence of C-alpha-H - O=C hydrogen bond motif similar to the motif in collagen triple helix and beta-sheets. In: Journal of Peptide Research, 51 (4). pp. 266-270.

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Official URL: http://pt.wkhealth.com/pt/re/jpep/abstract.0006342...

Abstract

L-Histidyl-L-serine (HSN) trihydrate, C9H14N4O4 . H2O, crystallizes in the orthorhombic space group P2(1)2(1)2(1) with a = 4.865(4), b = 15.604(4), c = 18.918(5) and Z = 4. The crystal structure was solved by direct methods and refined to R1 = 0.070 by a full-matrix least-squares method. The peptide exists in a zwitterionic form, with the N-terminus in a protonated form and the C-terminus in an ionized form. The imidazole ring of histidine in its neutral His(epsilon) tautomeric state has conformational angles chi(1)(1) of -53.5(7)degrees and chi(1)(21) of -55.4(8)degrees and the serine hydroxyl group has chi(2)(1) of 68.2(7)degrees. The conformational angles deviate significantly from those or rue dipeptide complexed with glycyl-L-glutamic acid in which the histidine is protonated. A noteworthy feature of the crystal packing is the occurrence of a C-alpha-H O=C hydrogen bond motif similar to that observed in collagen triple helix and beta-sheets.

Item Type: Journal Article
Additional Information: Copyright of this article belongs to Munksgaard International Publishers Ltd.
Keywords: crystal structure;conformation;hydrogen bond;histidine.
Department/Centre: Division of Physical & Mathematical Sciences > Physics
Date Deposited: 11 May 2009 08:39
Last Modified: 11 May 2009 08:39
URI: http://eprints.iisc.ernet.in/id/eprint/18344

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