NADH quinone oxidoreductase (NQO1) with inhibitor dicoumarol: Difference between revisions
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<applet load='F1a.pdb' size='500' frame='true' align='right' scene='2f1o/Align2/2' /> | <applet load='F1a.pdb' size='500' frame='true' align='right' scene='2f1o/Align2/2' /> | ||
The quinone ES936 causes irreversible inhibition of the NQO1. <scene name='2f1o/Align2/5'>Alignment</scene> of the hNQO1 dimer in complex with <font color='red'><b>ES936 (red)</b></font> ([[1kbq]]) with the hNQO1−dicoumarol complex ([[2f1o]]) yields 0.45Å RMSD for the 546 Cα atoms. The ES936 causes structural change only in the position of Phe 232. The movement of this residue is smaller than that caused by dicoumarol. The <scene name='2f1o/Align2/6'>distance</scene> between Tyr 128 and Phe 232 in the hNQO1−ES936 complex is only ~ | The quinone ES936 causes irreversible inhibition of the NQO1. <scene name='2f1o/Align2/5'>Alignment</scene> of the hNQO1 dimer in complex with <font color='red'><b>ES936 (red)</b></font> ([[1kbq]]) with the hNQO1−dicoumarol complex ([[2f1o]]) yields 0.45Å RMSD for the 546 Cα atoms. The ES936 causes structural change only in the position of Phe 232. The movement of this residue is smaller than that caused by dicoumarol. The <scene name='2f1o/Align2/6'>distance</scene> between Tyr 128 and Phe 232 in the hNQO1−ES936 complex is only ~7 Å, while in the hNQO1−dicoumarol complex it is ~12 Å. | ||
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