𝔖 Bobbio Scriptorium
✦   LIBER   ✦

Combined use of NMR and molecular modelling calculations for the conformational analysis of the TraM headpiece

✍ Scribed by T. Stockner; C. Plugariu; H. Sterk


Publisher
John Wiley and Sons
Year
1998
Tongue
English
Weight
237 KB
Volume
36
Category
Article
ISSN
0749-1581

No coin nor oath required. For personal study only.

✦ Synopsis


The N-terminal headpiece, MAKVQAYVSDEIVYKINKIVER, of the TraM protein exists in two distinct conformers in a waterÈSDS mixture. 1H NMR investigations and X-PLOR calculations revealed that one of the conformers has a helical structure whereas in the other conformer the helical structure is bent at E-11. The two structures are characterized by di †erent chemical shifts for the Ha and NH protons of S-9 and D-10. 1998


📜 SIMILAR VOLUMES


NMR and molecular dynamics study of muro
✍ Primož Pristovšek; Jurka Kidrič 📂 Article 📅 1997 🏛 Wiley (John Wiley & Sons) 🌐 English ⚖ 221 KB 👁 2 views

## -L-alanyl-D-isoglutaminyl]-N 6 -stearoyl-Llysine), a potent muramyl dipeptide (MDP) analogue with increased lipophilicity, has been studied in DMSO-d 6 solution with nmr methods and molecular dynamics (MD) simulations. The proton spectra show the presence of the a-and b-anomers of the pyranosyl

A conformational study of the xyloglucan
✍ Celine Picard; Jan Gruza; Christiane Derouet; C. M. G. C. Renard; Karim Mazeau; 📂 Article 📅 2000 🏛 Wiley (John Wiley & Sons) 🌐 English ⚖ 417 KB 👁 2 views

A structural study of the XXXG xyloglucan heptasaccharide (X = alpha-D-Xylp(1 --> 6)-beta-D-Glcp and G = beta-D-Glcp) isolated from apple fruit has been undertaken with nmr and molecular mechanics methods. Quantitative 400 MHz nmr data including nuclear Overhauser effect spectroscopy (NOESY) volumes

Classical H-NMR shielding calculations w
✍ Volker Rüdiger; Hans-Jörg Schneider 📂 Article 📅 2000 🏛 John Wiley and Sons 🌐 English ⚖ 81 KB 👁 1 views

A computer program SHIFT for evaluating NMR shielding variations on the basis of classical equations describing anisotropy, linear and square electric effects and also sterically induced charge separations is presented. Application of the program is illustrated with the conformational analysis of th

The structure and dipole moment of globu
✍ Shiro Takashima 📂 Article 📅 2001 🏛 Wiley (John Wiley & Sons) 🌐 English ⚖ 202 KB 👁 1 views

The large dipole moment of globular proteins has been well known because of the detailed studies using dielectric relaxation and electro-optical methods. The search for the origin of these dipolemoments, however, must be based on the detailed knowledge on protein structure with atomic resolutions. A

Molecular Insight Into Surface Organomet
✍ Mathieu Chabanas; Elsje Alessandra Quadrelli; Bernard Fenet; Christophe Copéret; 📂 Article 📅 2001 🏛 John Wiley and Sons 🌐 English ⚖ 100 KB

The structural characterization of heterogeneous catalysts remains difficult. In the late eighties, Feher and later others showed that polyhedral oligomeric silsesquioxanes (POSS) can be used to model the surface structure of partially dehydroxylated silica and therefore infer information about the