Sep 13 2018 Feedback. |
[ Molecule Representation and Color | Annotation | Labels | 2D and 3D Labels ]
IntroductionThe following examples are focused on the structure of the kinase catalytic domain. The catalytic domain is nestled between the N- and C- terminal and has high sequence conservation between kinase families. The adenine moiety of ATP interacts with the hinge region which links the N- and C-terminals of the catalytic domain. The ATP sugar binding region is on the "floor" of the pocket where ribose makes a hydrogen bond with a polar residue. A conserved lysine residue on the beta3 strand is part of the "roof" of the pocket where the triphosphate group of ATP binds. A flexible glycine-rich loop moves in and out of the pocket depending on the ligand bound state of the PK and is regulated to some extent by the movement in and out of the pocket by the AlphaC helix. A buried region at the "back" of the pocket is protected by a "gatekeeper residue" forming a variable hydrophobic cavity. The hydrophobic cavity along with the DFG motif region are of interest for drug design because it opens up regions of the pocket which are not conserved and do not bind ATP.To learn the basics of the graphical user interface we will annotate the key structural regions of a protein kinase.
This tutorial shows you how to:
This tutorial shows you how to add user defined annotation to a particular region of a protein structure.
This tutorial is a continuation from the previous tutorials in this section and shows you how to:
This tutorial is a continuation from the previous tutorials in this section and shows you how to:
|
Copyright© 1989-2018, Molsoft,LLC - All Rights Reserved. |
This document contains proprietary and confidential information of
Molsoft, LLC. The content of this document may not be disclosed to third parties, copied or duplicated in any form, in whole or in part, without the prior written permission from Molsoft, LLC. |