Group:SMART:2010 Pingry SMART Team: Difference between revisions
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The catalytic triad, which includes the most important amino acids in regards catalysis, is located at the far end of the pocket. | The catalytic triad, which includes the most important amino acids in regards catalysis, is located at the far end of the pocket. | ||
<scene name='2010_Pingry_SMART_Team/1lwi_cofactorbonding/1'>Orange highlights the co-factor specificity side-chains.</scene> Gln190, Asn167, Ser166 form hydrogen bonds with the nicotinamide ring in the cofactor. For more details about co-factor specificity, see the other two protein structures, which explain the subject in more depth. | <scene name='2010_Pingry_SMART_Team/1lwi_cofactorbonding/1'>Orange highlights the co-factor specificity side-chains.</scene> Gln190, Asn167, Ser166 form hydrogen bonds with the nicotinamide ring in the cofactor. Tyr216 performs pi-stacking against the nicotinamide ring of the cofactor. For more details about co-factor specificity, see the other two protein structures, which explain the subject in more depth. | ||
<scene name='2010_Pingry_SMART_Team/1lwi_catalytic_triad/1'>Cyan highlights the catalytic triad: Tyr55, Asp50, and Lys84.</scene> These three amino acids perform a proton relay reaction to transfer electrons between substrate and cofactor. 3α-HSD is capable of running the reaction both ways, either oxidizing or reducing the substrate and cofactor depending on the state of the testosterone. Tyr55 acts as acid, and donates a proton to the steroid-->Tyr55 forms a hydrogen bond to Lys84 for stabilization-->Lys84 forms a salt link to Asp50 for further stability. | <scene name='2010_Pingry_SMART_Team/1lwi_catalytic_triad/1'>Cyan highlights the catalytic triad: Tyr55, Asp50, and Lys84.</scene> These three amino acids perform a proton relay reaction to transfer electrons between substrate and cofactor. 3α-HSD is capable of running the reaction both ways, either oxidizing or reducing the substrate and cofactor depending on the state of the testosterone. Tyr55 acts as acid, and donates a proton to the steroid-->Tyr55 forms a hydrogen bond to Lys84 for stabilization-->Lys84 forms a salt link to Asp50 for further stability. | ||
