Exclusively NOESY-based automated NMR assignment and structure determination of proteins

Journal of Biomolecular NMR - Tập 50 - Trang 137-146 - 2011
Teppei Ikeya1,2, Jun-Goo Jee2, Yoshiki Shigemitsu2, Junpei Hamatsu2, Masaki Mishima2, Yutaka Ito2, Masatsune Kainosho2,3, Peter Güntert1,2
1Institute of Biophysical Chemistry, Center for Biomolecular Magnetic Resonance, and Frankfurt Institute for Advanced Studies, Goethe University Frankfurt am Main, Frankfurt am Main, Germany
2Graduate School of Science, Tokyo Metropolitan University, Hachioji, Japan
3Graduate School of Science, Nagoya University, Chikusa-ku, Nagoya, Japan

Tóm tắt

A fully automated method is presented for determining NMR solution structures of proteins using exclusively NOESY spectra as input, obviating the need to measure any spectra only for obtaining resonance assignments but devoid of structural information. Applied to two small proteins, the approach yielded structures that coincided closely with conventionally determined structures.

Tài liệu tham khảo

Billeter M, Braun W, Wüthrich K (1982) Sequential resonance assignments in protein 1H nuclear magnetic resonance spectra: computation of sterically allowed proton proton distances and statistical-analysis of proton proton distances in single-crystal protein conformations. J Mol Biol 155:321–346

Kraulis PJ (1994) Protein three-dimensional structure determination and sequence-specific assignment of 13C-separated and 15N-separated NOE data–a novel real-space ab initio approach. J Mol Biol 243:696–718

Malliavin TE, Rouh A, Delsuc MA, Lallemand JY (1992) Approche directe de la détermination de structures moléculaires à partir de l’effet Overhauser nucléaire. C R Acad Sci II 315:653–659

Malmodin D, Papavoine CHM, Billeter M (2003) Fully automated sequence-specific resonance assignments of heteronuclear protein spectra. J Biomol NMR 27:69–79

Stratmann D, van Heijenoort C, Guittet E (2009) NOEnet-use of NOE networks for NMR resonance assignment of proteins with known 3D structure. Bioinformatics 25:474–481