COMPUTER-ASSISTED ASSIGNMENT OF MULTIDIMENSIONAL NMR-SPECTRA OF PROTEINS - APPLICATION TO 3D NOESY-HMQC AND TOCSY-HMQC SPECTRA

被引：36

作者：

BERNSTEIN, R ^{[1
]}

CIESLAR, C ^{[1
]}

ROSS, A ^{[1
]}

OSCHKINAT, H ^{[1
]}

FREUND, J ^{[1
]}

HOLAK, TA ^{[1
]}

机构：

[1] MAX PLANCK INST BIOCHEM, W-8033 MARTINSRIED, GERMANY

来源：

JOURNAL OF BIOMOLECULAR NMR | 1993年 / 3卷 / 02期

关键词：

MULTIDIMENSIONAL NMR; COMPUTER-ASSISTED NMR ASSIGNMENT; PROTEINS;

D O I：

10.1007/BF00178267

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：

An algorithm based on the technique of combinatorial minimization is used for the semi-automated assignment of multidimensional heteronuclear spectra. The program (ALFA) produces the best assignment compatible with the available input data. Even partially misleading or missing data do not seriously corrupt the final assignment. Ambiguous sequences of the possible assignment and all alternatives are indicated. The program can also use additional non-spectroscopic data to assist in the assignment procedure. For example, information from the X-ray structure of the protein and/or information about the secondary structure can be used. The assignment procedure was tested on spectra of mucous trypsin inhibitor, a protein of 107 residues.

引用

页码：245 / 251

页数：7

共 20 条

[1] A PROGRAM FOR SEMI-AUTOMATIC SEQUENTIAL RESONANCE ASSIGNMENTS IN PROTEIN H-1 NUCLEAR MAGNETIC-RESONANCE SPECTRA [J].