Assertion: adenosine | /r/HasProperty | a2a receptor of table
Facets:
Source sentences:
text: The coordinates of the adenosine A2A receptor of Table (i), optionally varied by a root mean square deviation of residue backbone atoms of not more than 1.08 A, or selected coordinates thereof may be used in the provision, design, modification or analysis of binding partners of adenosine A2A receptors.
text: Accordingly, a third aspect of the invention provides a method for selecting or designing one or more binding partners of adenosine A ¾ receptor comprising using molecular modelling means to select or design one or more binding partners of the adenosine A2A receptor, wherein the three-dimensional structural representation of at least part of the human adenosine A2A receptor, as defined by the coordinates of adenosine A2A receptor of Table (i), optionally varied by a root mean square deviation of residue backbone atoms of not more than 1.08 A, or selected coordinates thereof, is compared with a three-dimensional structural representation of one or more candidate binding partners, and one or more binding partners that are predicted to interact with adenosine A2A receptor are selected.
text: For example, selection may involve using a computer for selecting an orientation of a binding partner with a favourable shape complementarity in a binding region comprising the steps of: (a) providing the coordinates of adenosine A2A receptor of Table (i), optionally varied by a root mean square deviation of residue backbone atoms of not more than 1.08 A, or selected coordinates thereof and a three-dimensional structural representation of one or more candidate binding partners; (b) employing computational means to dock a first binding partner in the binding region; (c) quantitating the contact score of the binding partner in different orientations; and (d) selecting an orientation with the highest contact score.
text: In another embodiment, selection may involve screening a binding partner to associate at a deformation energy of binding of less than -7 kcal/mol with an adenosine A2A receptor binding region comprising: (a) providing the coordinates of adenosine A2A receptor of Table (i), optionally varied by a root mean square deviation of residue backbone atoms of not more than 1.08 A, or selected coordinates thereof and employing computational means which utilise coordinates to dock the binding partner into a binding region; (b) quantifying the deformation energy of binding between the binding partner and the binding region; and (d) selecting a binding partner that associates with an adenosine A^ receptor binding region at a deformation energy of binding of less than -7 kcal/mol.