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Figure 6a Projections of the topo I MD motions along the first eigenvector. The two extreme projections and the average protein structure are represented from two different viewpoints. Core subdomains I, II and III are represented in yellow, blue and red, respectively; the C terminal domain in cyan; the intact DNA and scissile strands in purple and gold, respectively. (A) The rotation of core subdomain I and II in the directions shown by the yellow and blue arrows, respectively. The two residues with the largest displacement along this eigenvector, Glu232 and Lys320, are labelled and represented with yellow spheres. (B) The concerted motion of the 12 13 14 sheet, permitted by the high flexibility of the loop centred on Gly520 (red sphere). Such a motion is coupled with that of helix 13, containing Asp533 (red sphere)..

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Protein concerted motions in the DNA human topoisomerase I complex
Nucleic Acids Res. 2003 Mar 1; 31(5):1525-1535

Abstract

The collective motions of the core and C terminal domains of human topoisomerase I (topo I) have been analysed by molecular dynamics simulation of the.....
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Copyright 2003 Oxford University Press



Keywords

1A31

Other images from the same article


Highslide JS
DCC map for the topo I DNA complex...

Article : Protein concerted motions in the DNA human topoisomerase I complex
Nucleic Acids Res. 2003 Mar 1; 31(5):1525-1535

Click to view details
Highslide JS
Displacement of each topo I C atom along the three eigenvectors having the largest eigenvalues...

Article : Protein concerted motions in the DNA human topoisomerase I complex
Nucleic Acids Res. 2003 Mar 1; 31(5):1525-1535

Click to view details
Highslide JS
Order parameter S2 for the (black line) and (red line) dihedral angles of topo I...

Article : Protein concerted motions in the DNA human topoisomerase I complex
Nucleic Acids Res. 2003 Mar 1; 31(5):1525-1535

Click to view details
Highslide JS
Projections of the topo I MD motions along the first eigenvector...

Article : Protein concerted motions in the DNA human topoisomerase I complex
Nucleic Acids Res. 2003 Mar 1; 31(5):1525-1535

Click to view details
Highslide JS
Projections of the topo I MD motions along the third eigenvector...

Article : Protein concerted motions in the DNA human topoisomerase I complex
Nucleic Acids Res. 2003 Mar 1; 31(5):1525-1535

Click to view details
Highslide JS
Ramachandran plots of the topo I DNA complex representing the protein / conformations visited by the MD simulation (black dots)...

Article : Protein concerted motions in the DNA human topoisomerase I complex
Nucleic Acids Res. 2003 Mar 1; 31(5):1525-1535

Click to view details
Highslide JS
Two MD snapshots taken as representatives of the two different families of conformations visited by Glu582 during the simulation...

Article : Protein concerted motions in the DNA human topoisomerase I complex
Nucleic Acids Res. 2003 Mar 1; 31(5):1525-1535

Click to view details