Sandbox Reserved 712: Difference between revisions
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Surface residues <scene name='Sandbox_Reserved_712/R45/1'>R45</scene> and <scene name='Sandbox_Reserved_712/R55/1'>R55</scene> have disordered side chains, but the other amino acid residue changes could be modeled into well-defined electron density maps. | Surface residues <scene name='Sandbox_Reserved_712/R45/1'>R45</scene> and <scene name='Sandbox_Reserved_712/R55/1'>R55</scene> have disordered side chains, but the other amino acid residue changes could be modeled into well-defined electron density maps. | ||
PR<sub>DRV5</sub> contains darunavir mutations V82T and I84V (see Fig.2, Part B, indicated in bold print) that are directly involved in substrate-darunavir-interactions (change of S2/S2' subsites). | PR<sub>DRV5</sub> contains darunavir mutations <scene name='Sandbox_Reserved_712/V82t/1'>V82T</scene> and | ||
<scene name='Sandbox_Reserved_712/I84v/2'>I84V</scene> (see Fig.2, Part B, indicated in bold print) that are directly involved in substrate-darunavir-interactions (change of S2/S2' subsites). | |||
The other 18 mutations are outside the binding cleft, but some are still in direct contact with the binding residues (e.g. L10I, K20M, L33F, I54L/V and L90M). | The other 18 mutations are outside the binding cleft, but some are still in direct contact with the binding residues (e.g. <scene name='Sandbox_Reserved_712/L10i/1'>L10I</scene>, K20M, <scene name='Sandbox_Reserved_712/L33f/1'>L33F</scene>, <scene name='Sandbox_Reserved_712/I54v/1'>I54L/V</scene> and <scene name='Sandbox_Reserved_712/L90m/1'>L90M</scene>). | ||
Mutations L33F, M36L, N37T, P39S, K45R, M46I, I54V and K55R cause structural changes in the flap region and the flap hinge. | Mutations <scene name='Sandbox_Reserved_712/L33f/1'>L33F</scene>, <scene name='Sandbox_Reserved_712/M36l/1'>M36L</scene>, <scene name='Sandbox_Reserved_712/N37t/1'>N37T</scene>, | ||
<scene name='Sandbox_Reserved_712/P39s/1'>P39S</scene>, <scene name='Sandbox_Reserved_712/K45r/1'>K45R</scene>, M46I, <scene name='Sandbox_Reserved_712/I54v/1'>I54V</scene> and <scene name='Sandbox_Reserved_712/K55r/1'>K55R</scene> cause structural changes in the flap region and the flap hinge. | |||
The pictures on the right (Fig.3 and Fig.4) show the regions (indicated in blue) that undergo structural changes caused by the mutations. | The pictures on the right (Fig.3 and Fig.4) show the regions (indicated in blue) that undergo structural changes caused by the mutations. | ||
To see the full images, with changes in PR<sub>DRV1</sub> and comparative structure of wild-type PR<sub>DRV1</sub> and PR<sub>DRV5</sub> follow the links: | To see the full images, with changes in PR<sub>DRV1</sub> and comparative structure of wild-type PR<sub>DRV1</sub> and PR<sub>DRV5</sub> follow the links: | ||