Abstract:
:We report the determination of the global fold of human ubiquitin using protein backbone NMR residual dipolar coupling and long-range nuclear Overhauser effect (NOE) data as conformational restraints. Specifically, by use of a maximum of three backbone residual dipolar couplings per residue (Ni-H N i, Ni-C'(i-1), H N i - C'(i-1)) in two tensor frames and only backbone H N -H N NOEs, a global fold of ubiquitin can be derived with a backbone root-mean-square deviation of 1.4 A with respect to the crystal structure. This degree of accuracy is more than adequate for use in databases of structural motifs, and suggests a general approach for the determination of protein global folds using conformational restraints derived only from backbone atoms.
journal_name
J Biomol NMRjournal_title
Journal of biomolecular NMRauthors
Giesen AW,Homans SW,Brown JMdoi
10.1023/a:1021954812977subject
Has Abstractpub_date
2003-01-01 00:00:00pages
63-71issue
1eissn
0925-2738issn
1573-5001pii
5112609journal_volume
25pub_type
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