Protein structure elucidation from NMR proton densities
نویسندگان
چکیده
منابع مشابه
Protein structure elucidation from NMR proton densities.
The NMR-generated foc proton density affords a template to which the molecule has to be fitted to derive the structure. Here we present a computational protocol that achieves this goal. H(N) atoms are readily recognizable from (1)H/(2)H exchange or (1)H/(15)N heteronuclear single quantum correlation (HSQC) experiments. The primary structure is threaded through the unassigned foc by leapfrogging...
متن کاملProtein structure elucidation from minimal NMR data: the CLOUDS approach.
In this chapter we review automated methods of protein NMR data analysis and expand on the assignment-independent CLOUDS approach. As presented, given a set of reliable NOEs it is feasible to derive a spatial H-atom distribution that provides a low-resolution image of the protein structure. In order to generate such a list of unambiguous NOEs, a probabilistic assessment of the NOE identities (i...
متن کاملApplying ILP to Diterpene Structure Elucidation from 13C NMR Spectra
We present a novel application of ILP to the problem of diterpene structure elucidation from 13 C NMR spectra. Diterpenes are organic compounds of low molecular weight that are based on a skeleton of 20 carbon atoms. They are of signiicant chemical and commercial interest because of their use as lead compounds in the search for new pharmaceutical eeectors. The structure elucidation of diterpene...
متن کاملELUCIDATION OF THE STRUCTURE OF METALLOTHIONEINS BY Cd-113 AND PROTON NMR
Metaliothioneins (MTs) are a class of low molecular weight (^6100 dalton), cysteine-rich, heavy metal binding proteins. First isolated over 25 years ago from equine renal cortex (1), MTs have subsequently been found to be ubiquitously distributed in the animal and plant kingdoms and also in some procaryotes (2). Heavy metals have been shown to act as inducers at the transcriptional level iji vi...
متن کاملProtein structure determination from NMR chemical shifts.
NMR spectroscopy plays a major role in the determination of the structures and dynamics of proteins and other biological macromolecules. Chemical shifts are the most readily and accurately measurable NMR parameters, and they reflect with great specificity the conformations of native and nonnative states of proteins. We show, using 11 examples of proteins representative of the major structural c...
متن کاملذخیره در منابع من
با ذخیره ی این منبع در منابع من، دسترسی به آن را برای استفاده های بعدی آسان تر کنید
ژورنال
عنوان ژورنال: Proceedings of the National Academy of Sciences
سال: 2002
ISSN: 0027-8424,1091-6490
DOI: 10.1073/pnas.042114399