ソフトェア番号: 1 詳細: THE 3D SOLUTION STRUCTURE OF THE DNA BINDING DOMAIN OF MU TRANSPOSASE (MUA76, RESIDUES 1 - 76) WAS SOLVED BY MULTIDIMENSIONAL HETERONUCLEAR-EDITED NMR EXPERIMENTS AND IS BASED ON 1320 ...詳細: THE 3D SOLUTION STRUCTURE OF THE DNA BINDING DOMAIN OF MU TRANSPOSASE (MUA76, RESIDUES 1 - 76) WAS SOLVED BY MULTIDIMENSIONAL HETERONUCLEAR-EDITED NMR EXPERIMENTS AND IS BASED ON 1320 EXPERIMENTAL RESTRAINTS COMPRISING THE FOLLOWING: (A) 1192 APPROXIMATE INTERPROTON DISTANCE RESTRAINTS (308 SEQUENTIAL, 266 SHORT RANGE 1 , |I-J| <=5, 323 LONG RANGE |I-J|>5, AND 295 INTRARESIDUE (B) 18 DISTANCE RESTRAINTS FOR 9 BACKBONE HYDROGEN BONDS (C) 36 HN-CAH COUPLING CONSTANT RESTRAINTS (D) 74 TORSION ANGLE RESTRAINTS (40 PHI, 23 CHI1 AND 11 CHI2). A COMPLETE LIST OF EXPERIMENTAL RESTRAINTS HAVE BEEN DEPOSITED WITH THE BROOKHAVEN DATA BANK. THE STRUCTURES ARE CALCULATED USING THE HYBRID METRIC MATRIX DISTANCE GEOMETRY-DYNAMICAL SIMULATED ANNEALING METHOD DESCRIBED BY: NILGES, M., CLORE, G.M. & GRONENBORN, A.M. (1988) FEBS LETT 229, 317 - 324 ALL STRUCTURAL STATISTICS ARE GIVEN IN REF. 1. PDB ENTRY 1TNS IS THE RESTRAINED MINIMIZED AVERAGE STRUCTURE: (SA)R. THIS IS OBTAINED BY FIRST AVERAGING THE COORDINATES OF THE INDIVIDUAL 33 DYNAMICAL SIMULATED ANNEALING (SA) STRUCTURES BEST FITTED TO RESIDUES 3 - 36 AND 45 - 65 AND SUBJECTING THE RESULTING COORDINATES TO RESTRAINED MINIMIZATION. THE LAST NUMBER COLUMN IN THIS SET OF COORDINATES (THE B-FACTOR COLUMN IN X-RAY STRUCTURES) GIVES THE AVERAGE RMS DIFFERENCE BETWEEN THE INDIVIDUAL SA STRUCTURES AND THE MEAN STRUCTURE. THE NUMBERS IN THE LAST COLUMN OF THE INDIVIDUAL STRUCTURES HAVE NO MEANING. RESIDUES 1 - 2, 66 - 76, AND 37 - 44 ARE DISORDERED IN SOLUTION. THIS ENTRY CONTAINS THE 33 INDIVIDUAL STRUCTURES.