NORMAL MODE REFINEMENT - CRYSTALLOGRAPHIC REFINEMENT OF PROTEIN DYNAMIC STRUCTURE APPLIED TO HUMAN LYSOZYME

被引：12

作者：

KIDERA, A

INAKA, K

MATSUSHIMA, M

GO, N

机构：

[1] KYOTO UNIV,FAC SCI,DEPT CHEM,KYOTO 606,JAPAN

[2] PROT ENGN RES INST,SUITA,OSAKA 565,JAPAN

来源：

BIOPOLYMERS | 1992年 / 32卷 / 04期

关键词：

D O I：

10.1002/bip.360320404

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：

A new method of dynamic structure refinement of protein x-ray crystallography, normal mode refinement, is developed. In this method the Debye-Waller factor is expanded in terms of the low-frequency normal modes and external normal modes, whose amplitudes and couplings are optimized in the process of crystallographic refinement. By this method, internal and external contributions to the atomic fluctuations can be separated. Also, anisotropic atomic fluctuations and their interatomic correlations can be determined experimentally even with a relatively small number of adjustable parameters. The method is applied to the analysis of experimental data of human lysozyme to reveal its dynamic structure.

引用

页码：315 / 319

页数：5

共 10 条

[1] HARMONIC DYNAMICS OF PROTEINS - NORMAL-MODES AND FLUCTUATIONS IN BOVINE PANCREATIC TRYPSIN-INHIBITOR [J].

BROOKS, B ;

KARPLUS, M .

PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA-BIOLOGICAL SCIENCES, 1983, 80 (21) :6571-6575

[2] ON THE USE OF NORMAL-MODES IN THERMAL PARAMETER REFINEMENT - THEORY AND APPLICATION TO THE BOVINE PANCREATIC TRYPSIN-INHIBITOR [J].

DIAMOND, R .

ACTA CRYSTALLOGRAPHICA SECTION A, 1990, 46 :425-435

[3] A THEOREM ON AMPLITUDES OF THERMAL ATOMIC FLUCTUATIONS IN LARGE MOLECULES ASSUMING SPECIFIC CONFORMATIONS CALCULATED BY NORMAL MODE ANALYSIS [J].

GO, N .

BIOPHYSICAL CHEMISTRY, 1990, 35 (01) :105-112

[4] DYNAMICS OF A SMALL GLOBULAR PROTEIN IN TERMS OF LOW-FREQUENCY VIBRATIONAL-MODES [J].

GO, N ;

NOGUTI, T ;

NISHIKAWA, T .

PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA-BIOLOGICAL SCIENCES, 1983, 80 (12) :3696-3700

[5]

HENDRICKSON WA, 1985, METHOD ENZYMOL, V115, P252

[6]

JOHNSON CK, 1976, ORNL5138 REP

[7] REFINEMENT OF PROTEIN DYNAMIC STRUCTURE - NORMAL MODE REFINEMENT [J].

KIDERA, A ;

GO, N .

PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA, 1990, 87 (10) :3718-3722

[8]

KIDERA A, UNPUB

[9]

LEVITT M, 1983, INT J QUANTUM CHEM Q, V10, P181

[10] ON RIGID-BODY MOTION OF MOLECULES IN CRYSTALS [J].

SCHOMAKER, V ;

TRUEBLOOD, KN .

ACTA CRYSTALLOGRAPHICA SECTION B-STRUCTURAL CRYSTALLOGRAPHY AND CRYSTAL CHEMISTRY, 1968, B 24 :63-+

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