Combined automated NOE assignment and structure calculation with CYANA

被引：291

作者：

Guentert, Peter ^{[1
,2
,3
]}

Buchner, Lena ^{[1
]}

机构：

[1] Goethe Univ Frankfurt, Ctr Biomol Magnet Resonance, Inst Biophys Chem, D-60438 Frankfurt, Germany

[2] ETH, Phys Chem Lab, CH-8092 Zurich, Switzerland

[3] Tokyo Metropolitan Univ, Grad Sch Sci, Hachioji, Tokyo, Japan

来源：

JOURNAL OF BIOMOLECULAR NMR | 2015年 / 62卷 / 04期

基金：

日本学术振兴会;

关键词：

Automated assignment; NOESY; Distance restraints; Structure calculation; CYANA; CASD-NMR; AMBIGUOUS DISTANCE RESTRAINTS; NMR STRUCTURE DETERMINATION; MAGNETIC-RESONANCE DATA; TORSION ANGLE DYNAMICS; PROTEIN STRUCTURES; SPECTRA; PROGRAM; ALGORITHM; IDENTIFICATION; CONFORMATIONS;

D O I：

10.1007/s10858-015-9924-9

中图分类号：

Q5 [生物化学]; Q7 [分子生物学];

学科分类号：

071010 ; 081704 ;

摘要：

The automated assignment of NOESY cross peaks has become a fundamental technique for NMR protein structure analysis. A widely used algorithm for this purpose is implemented in the program CYANA. It has been used for a large number of structure determinations of proteins in solution but was so far not described in full detail. In this paper we present a complete description of the CYANA implementation of automated NOESY assignment, which differs extensively from its predecessor CANDID by the use of a consistent probabilistic treatment, and we discuss its performance in the second round of the critical assessment of structure determination by NMR.

引用

页码：453 / 471

页数：19

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