Sandbox reserved CDK2 Oxindole Inhibitor
From Proteopedia
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== Cyclin-Dependend Kinase 2 (CDK2) in Complex with an Oxindole Inhibitor == | == Cyclin-Dependend Kinase 2 (CDK2) in Complex with an Oxindole Inhibitor == | ||
<StructureSection load='1fvt' size='350' side='left' caption='Structure of CDK2 with 4-(5-bromo-2-oxo-2h-indol-3-ylazo)-benzenesulfonamide (PDB entry [[1fvt]])' scene=''> | <StructureSection load='1fvt' size='350' side='left' caption='Structure of CDK2 with 4-(5-bromo-2-oxo-2h-indol-3-ylazo)-benzenesulfonamide (PDB entry [[1fvt]])' scene=''> | ||
| - | *The representation displayed is that of cyclin-dependent kinase 2 (CDK2) interacting with an oxindole inhibitor. The ligand pictured is the <scene name='Sandbox_reserved_CDK2_Oxindole_Inhibitor/Oxindole_inhibitor/2'>oxindole inhibitor</scene>, 4-(5-bromo-2-oxo-2h-indol-3-ylazo)- benzenesulfonamide. <scene name='Sandbox_reserved_CDK2_Oxindole_Inhibitor/Cdk2/1'>CDK2</scene> is part of the Ser/Thr protein kinases. CDK2 is a positive regulator of the eukaryotic cell cycle progression and is a catalytic unit that helps the cell progress from the G1 phase to the S phase. | + | *The representation displayed is that of cyclin-dependent kinase 2 (CDK2) interacting with an oxindole inhibitor. The ligand pictured is the <scene name='Sandbox_reserved_CDK2_Oxindole_Inhibitor/Oxindole_inhibitor/2'>oxindole inhibitor</scene>, 4-(5-bromo-2-oxo-2h-indol-3-ylazo)- benzenesulfonamide. <scene name='Sandbox_reserved_CDK2_Oxindole_Inhibitor/Cdk2/1'>CDK2</scene> is part of the Ser/Thr protein kinases. CDK2 is a positive regulator of the eukaryotic cell cycle progression and is a catalytic unit that helps the cell progress from the G1 phase to the S phase. <ref>[http://www.ncbi.nlm.nih.gov/gene/1017]</ref> |
| - | *In the study “The Structure of Cyclin-Dependent Kinase 2 (CDK2) in Complex with an Oxindole Inhibitor,” researchers studied whether using a topical oxindole inhibitor would reduce the chemotherapy-induced alopecia (CIA). Alopecia is characterized by hair loss. By inhibiting the CDK2, the cell cycle is slowed and the sensitivity to the epithelium from many cell cycle-active antitumor agents is reduced. Thus, a reduction in hair loss can be possible. | + | *In the study “The Structure of Cyclin-Dependent Kinase 2 (CDK2) in Complex with an Oxindole Inhibitor,” researchers studied whether using a topical oxindole inhibitor would reduce the chemotherapy-induced alopecia (CIA). Alopecia is characterized by hair loss. By inhibiting the CDK2, the cell cycle is slowed and the sensitivity to the epithelium from many cell cycle-active antitumor agents is reduced. Thus, a reduction in hair loss can be possible. <ref>PMID: 11141566</ref> |
*The oxindole inhibitor interacts with the CDK2 through a small <scene name='Sandbox_reserved_CDK2_Oxindole_Inhibitor/Binding_pocket/1'>binding pocket</scene>. | *The oxindole inhibitor interacts with the CDK2 through a small <scene name='Sandbox_reserved_CDK2_Oxindole_Inhibitor/Binding_pocket/1'>binding pocket</scene>. | ||
*The CDK2 is composed of a total of 7 alpha-helices and 6 beta-sheets. The <scene name='Sandbox_reserved_CDK2_Oxindole_Inhibitor/Secondary_structures/1'>alpha-helices and beta-sheets</scene> can be seen here. | *The CDK2 is composed of a total of 7 alpha-helices and 6 beta-sheets. The <scene name='Sandbox_reserved_CDK2_Oxindole_Inhibitor/Secondary_structures/1'>alpha-helices and beta-sheets</scene> can be seen here. | ||
*This presentation of the protein-ligand module shows the <scene name='Sandbox_reserved_CDK2_Oxindole_Inhibitor/Active_site/1'>active site</scene> in which the oxindole inhibitor interacts with CDK2. | *This presentation of the protein-ligand module shows the <scene name='Sandbox_reserved_CDK2_Oxindole_Inhibitor/Active_site/1'>active site</scene> in which the oxindole inhibitor interacts with CDK2. | ||
*The oxindole inhibitor interacts with <scene name='Sandbox_reserved_CDK2_Oxindole_Inhibitor/Active_site_phe80a/1'>Phe80A</scene> in a Pi-Pi, Pi-cation interaction. An interaction between the oxindole inhibitor and <scene name='Sandbox_reserved_CDK2_Oxindole_Inhibitor/Active_site_ile10a/3'>Ile10A</scene> can be seen here in a hydrophobic interaction. Also, there are two sets of important hydrogen bonds between the oxindole inhibitor and CDK2: <scene name='Sandbox_reserved_CDK2_Oxindole_Inhibitor/Active_site_leu_83a/1'>Leu83A</scene> and <scene name='Sandbox_reserved_CDK2_Oxindole_Inhibitor/Active_site_asp86a/1'>Asp86A</scene>. It is with these four <scene name='Sandbox_reserved_CDK2_Oxindole_Inhibitor/Interactions/1'>interactions</scene> that the oxindole inhibitor is able to interact with CDK2 and slow the cell cycle. | *The oxindole inhibitor interacts with <scene name='Sandbox_reserved_CDK2_Oxindole_Inhibitor/Active_site_phe80a/1'>Phe80A</scene> in a Pi-Pi, Pi-cation interaction. An interaction between the oxindole inhibitor and <scene name='Sandbox_reserved_CDK2_Oxindole_Inhibitor/Active_site_ile10a/3'>Ile10A</scene> can be seen here in a hydrophobic interaction. Also, there are two sets of important hydrogen bonds between the oxindole inhibitor and CDK2: <scene name='Sandbox_reserved_CDK2_Oxindole_Inhibitor/Active_site_leu_83a/1'>Leu83A</scene> and <scene name='Sandbox_reserved_CDK2_Oxindole_Inhibitor/Active_site_asp86a/1'>Asp86A</scene>. It is with these four <scene name='Sandbox_reserved_CDK2_Oxindole_Inhibitor/Interactions/1'>interactions</scene> that the oxindole inhibitor is able to interact with CDK2 and slow the cell cycle. | ||
| + | ==References== | ||
| + | <references /> | ||
Revision as of 18:37, 26 September 2012
Cyclin-Dependend Kinase 2 (CDK2) in Complex with an Oxindole Inhibitor
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