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Conformational studies of cyclic peptide structures in solution from proton nmr data by distance geometry calculation and restrained energy minimization


, : Conformational studies of cyclic peptide structures in solution from proton nmr data by distance geometry calculation and restrained energy minimization. Biopolymers 29(10-11): 1387-1400

The three-dimensional structure of a cyclic bouvardin analogue, cyclo(-Pro-MeTyr-Ala-MeTyr-MeTyr-D-Ala-) has been determined by distance geometry calculations and restrained energy minimization from nmr data. The preparation of the input for the distance geometry calculations, the modification of the amino acid library, and the analysis of the structures were done with the aid of of a recently developed software package, GEOM. A great variety of different initial structures were explored to check the uniqueness of the determined solution structure. Calculations with 500 different initial structures and two different strategies led to a uniquely determined backbone conformation with a root mean square deviations value of 0.4 .ANG. The backbone structure consists of two .beta.-turns, a .beta.-II turn at Pro1-MeTyr2, and a .beta.-VI turn at MeTyr4-MeTyr5. The efficiency of the two calculation strategies were compared in order to propose an optimal means for performing distance geometry calculations with cyclic structures.

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Other references

Frueh Alfred J.Jr., 1955: The crystal structure of stromeyerite, AgCuS; a possible defect structure. Stromeyerite (AgCuS) seems to have a structure in which up to one tenth of the Ag atoms may be lacking.

De-Goede, A.T.J.W.; Van-Deurzen, M.P.J.; Van-Der-Leij, I.G.; Van-Der-Heijden, A.M.; Baas, J.M.A.; Van-Rantwijk, F.; Van-Bekkum, H., 1996: Synthesis of alkyl fructosides using solid acid catalysts: Part I: Silica-alumina cracking catalysts. Silica-alumina cracking catalysts and acid clays efficiently catalyze the 2-O-alkylation of D-fructose with long chain alcohols. Under the conditions applied virtually no degradation of fructose is observed. L-Sorbose and the aldopentoses also und...

Amonkou, A.; Coffi, S.; Bondurand, A., 1994: Monitoring of post-operative recovery with Glasgow coma scale. Urgences Medicales 13(3): 109-112

Lazorik M.I., 1988: Evaluation of the cytochemical reactions of the formed elements of the blood. Laboratornoe Delo (1): 64-65

López Ramón, M.; García de la Calzada, M.D.; Domínguez Cunchillos, M.; Salazar Mena, J., 2014: Tropical endomyocardial fibrosis in Spain. Endomyocardial fibrosis is a restrictive cardiomyopathy of unknown etiology prevalent in tropical regions. It is characterized by fibrotic obliteration of the apex of one or both ventricles, which can be extended to the ventricular inlet chamber....

Briggaman, R.A.; Gammon, W.R.y, 1993: Molecular targets in the autoimmune blistering diseases of skin. Journal of Cellular Biochemistry Supplement 0(17 PART E): 148

King, G.W., 1997: Neural stimulation techniques with feedback. Official Gazette of the United States Patent & Trademark Office Patents 1205(5): 3718, Dec 30

Klinger, W., 1988: What is understood of the imprinting phenomenon in developmental pharmacology?. Zentralblatt für Gynakologie 110(24): 1606-1608

McDonnell, M.J.; Hynes, S.; Connolly, C.; Gilmartin, J.J.; Rutherford, R.M., 2014: Solitary fibrous tumours of the pleura: report of two cases and literature review. Solitary fibrous tumours of the pleura (SFTPs) are rare pleural mesenchymal neoplasms with distinct clinicopathological and immunohistochemical features, accounting for less than 5 % of all neoplasms involving the pleura. We present two cases of S...

Andrén-Sandberg, A., 1996: A review of injury classification in traumatology. A Swedish model needs to be set up soon. Lakartidningen 93(34): 2860-2861