Sandbox Reserved 712: Difference between revisions
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=== General structure of HIV-1 proteases === | === General structure of HIV-1 proteases === | ||
=== X-ray | === X-ray structure analysis of PR<sub>DRV5</sub> (≙3GGU) === | ||
[[Image:Positions_of_the_mutations_in_PR_variants_used_for_structural_studies.jpg|left|320px|thumb| Fig.2 Positions of the mutations in PR variants used for structural studies. <ref name="Molecular" />]] | [[Image:Positions_of_the_mutations_in_PR_variants_used_for_structural_studies.jpg|left|320px|thumb| Fig.2 Positions of the mutations in PR variants used for structural studies. <ref name="Molecular" />]] | ||
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[[Image: Detailed_view_of_darunavir-enzyme_interactions.jpg|right|200px|thumb| Fig.4 Detailed view of the darunavir-enzyme interactions. <ref name="Molecular" />]] | [[Image: Detailed_view_of_darunavir-enzyme_interactions.jpg|right|200px|thumb| Fig.4 Detailed view of the darunavir-enzyme interactions. <ref name="Molecular" />]] | ||
The crystal structure was determined in complex with darunavir with 1.8-Å resolutions. The crystal formed with one PR dimer in the asymmetric unit with two inhibitor molecules bound in alternative orientations. | The crystal structure was determined in complex with darunavir with 1.8-Å resolutions. The crystal formed with one PR dimer in the asymmetric unit with two inhibitor molecules bound in alternative orientations. | ||
Surface residues <scene name='Sandbox_Reserved_712/R45/1'>R45</scene> and <scene name='Sandbox_Reserved_712/R55/1'>R55</scene> had | Surface residues <scene name='Sandbox_Reserved_712/R45/1'>R45</scene> and <scene name='Sandbox_Reserved_712/R55/1'>R55</scene> had 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 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). | ||
