Theoretical and NMR Conformational Studies of ?-Proline Oligopeptides With Alternating Chirality of Pyrrolidine Units.
Front Chem. 2018;6:91
Authors: Mantsyzov AB, Savelyev OY, Ivantcova PM, Bräse S, Kudryavtsev KV, Polshakov VI
Abstract
Synthetic ?-peptides are potential functional mimetics of native ?-proteins. A recently developed, novel, synthetic approach provides an effective route to the broad group of ?-proline oligomers with alternating patterns of stereogenic centers. Conformation of the pyrrolidine ring, Z/E isomerism of ?-peptide bonds, and hindered rotation of the neighboring monomers determine the spatial structure of this group of ?-proline oligopeptides. Preferences in their structural organization and corresponding thermodynamic properties are determined by NMR spectroscopy, restrained molecular dynamics and quantum mechanics. The studied ?-proline oligopeptides exist in dimethyl sulfoxide solution in a limited number of conformers, with compatible energy of formation and different spatial organization. In the ?-proline tetrapeptide with alternating chirality of composing pyrrolidine units, one of three peptide bonds may exist in an E configuration. For the alternating ?-proline pentapeptide, the presence of an E configuration for at least of one ?-peptide bond is mandatory. In this case, three peptide bonds synchronously change their configurations. Larger polypeptides may only exist in the presence of several E configurations of ?-peptide bonds forming a wave-like extended structure.
[NMR paper] A Combined Utilization of (1)H NMR, IR and Theoretical Calculations to Elucidate the Conformational Preferences of Some L-Histidine Derivatives.
A Combined Utilization of (1)H NMR, IR and Theoretical Calculations to Elucidate the Conformational Preferences of Some L-Histidine Derivatives.
A Combined Utilization of (1)H NMR, IR and Theoretical Calculations to Elucidate the Conformational Preferences of Some L-Histidine Derivatives.
J Phys Chem A. 2017 Jan 04;:
Authors: Braga CB, Rittner R
Abstract
The conformational preferences of amino acids and their derivatives have been subject of many investigations, since protein folding pathways that determine tridimensional...
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Low field photo-CIDNP in the intramolecular electron transfer of naproxen-pyrrolidine dyads
From The DNP-NMR Blog:
Low field photo-CIDNP in the intramolecular electron transfer of naproxen-pyrrolidine dyads
Magin, I.M., et al., Low field photo-CIDNP in the intramolecular electron transfer of naproxen-pyrrolidine dyads. Phys Chem Chem Phys, 2016. 18(2): p. 901-7.
http://www.ncbi.nlm.nih.gov/pubmed/26648262
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03-12-2016 12:28 AM
[NMR paper] ?-(S)-Trifluoromethyl proline: evaluation as a structural substitute of proline for solid state (19)F-NMR peptide studies.
?-(S)-Trifluoromethyl proline: evaluation as a structural substitute of proline for solid state (19)F-NMR peptide studies.
http://www.bionmr.com//www.ncbi.nlm.nih.gov/corehtml/query/egifs/http:--www.rsc.org-images-entities-char_z_RSClogo.gif Related Articles ?-(S)-Trifluoromethyl proline: evaluation as a structural substitute of proline for solid state (19)F-NMR peptide studies.
Org Biomol Chem. 2015 Mar 21;13(11):3171-81
Authors: Kubyshkin V, Afonin S, Kara S, Budisa N, Mykhailiuk PK, Ulrich AS
Abstract
...
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NMR Signal Enhancement by Effective SABRE Labeling of Oligopeptides
From The DNP-NMR Blog:
NMR Signal Enhancement by Effective SABRE Labeling of Oligopeptides
Ratajczyk, T., et al., NMR Signal Enhancement by Effective SABRE Labeling of Oligopeptides. Chemistry, 2015: p. n/a-n/a.
http://www.ncbi.nlm.nih.gov/pubmed/26189499
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[NMR paper] Conformational change of Sos-derived proline-rich peptide upon binding Grb2 N-terminal SH3 domain probed by NMR.
Conformational change of Sos-derived proline-rich peptide upon binding Grb2 N-terminal SH3 domain probed by NMR.
http://www.bionmr.com//www.ncbi.nlm.nih.gov/corehtml/query/egifs/http:--www.nature.com-images-lo_npg.gif Related Articles Conformational change of Sos-derived proline-rich peptide upon binding Grb2 N-terminal SH3 domain probed by NMR.
Sci Rep. 2013;3:2913
Authors: Ogura K, Okamura H
Abstract
Growth factor receptor-bound protein 2 (Grb2) is a small adapter protein composed of a single SH2 domain flanked by two SH3 domains. The...
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[NMR paper] Proline pipe helix: structure of the tus proline repeat determined by 1H NMR.
Proline pipe helix: structure of the tus proline repeat determined by 1H NMR.
http://www.ncbi.nlm.nih.gov/corehtml/query/egifs/http:--pubs.acs.org-images-acspubs.jpg Related Articles Proline pipe helix: structure of the tus proline repeat determined by 1H NMR.
Biochemistry. 1996 Jan 23;35(3):698-703
Authors: Butcher DJ, Nedved ML, Neiss TG, Moe GR
The structure of a 22 amino acid peptide, TPPI , that is similar to the proline repeat segment of the replication arrest protein, Tus, has been determined by 1H NMR in 50% trifluroethanol. The...
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[Stan NMR blog] Systems of Units of Measurements
Systems of Units of Measurements
Collection of references and links to measurement units.
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[Stan NMR blog] Tables of SI Units and Prefixes
Tables of SI Units and Prefixes
Includes basic, derived, accepted and deprecated units.
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Theoretical and NMR Conformational Studies of ?-Proline Oligopeptides With Alternating Chirality of Pyrrolidine Units.
Linear Mode
