Sandbox 121: Difference between revisions
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==='''Ligand Binding'''=== | ==='''Ligand Binding'''=== | ||
[[Image:B2AR_Binding_Pocket_PolarInt_Act_In.JPG|right|thumb|alt= Alt text| The binding mode of isoproterenol and carazolol in B2AR. Hydrophobic residues are displayed in yellow. Polar interactions are displayed with residues in cyan, oxygen in red, and hydrogen in white. (a) A model of B2AR in its active state in complex with isoproterenol. | |||
(b) B2AR in its inactive state in complex with carazolol. |425px]] | |||
Ligands share several key interactions in the binding pocket including: | Ligands share several key interactions in the binding pocket including: | ||
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(ii) Hydrophobic interaction between ligand and Val117 in TM3, Phe193 | (ii) Hydrophobic interaction between ligand and Val117 in TM3, Phe193 | ||
in ECL2, Phe289 in TM6, and Phe290 inTM6. | in ECL2, Phe289 in TM6, and Phe290 inTM6. | ||
{{clear}} | |||
<applet load='2RH1' size=' | <applet load='2RH1' size='500' frame='true' align='left' scene='Sandbox_121/2rh1/1' caption='B₂AR inactive state in complex with Carazolol'/> | ||
Inactive B₂AR in complex with Carazolol: <scene name='Sandbox_121/2rh1/ | Inactive B₂AR in complex with Carazolol: <scene name='Sandbox_121/2rh1/6'>Polar</scene> and <scene name='Sandbox_121/2rh1/7'>Hydrophobic</scene> Interactions | ||
<applet load='3P0G' size=' | <applet load='3P0G' size='500' frame='true' align='right' scene='Sandbox_121/B2ar_struc/1' caption='B₂AR active state in complex with BI-167107'/> | ||
Active B₂AR in complex with BI-167107: <scene name='Sandbox_121/B2ar_struc/7'>Polar</scene> and <scene name='Sandbox_121/B2ar_struc/8'>Hydrophobic</scene> Interactions | Active B₂AR in complex with BI-167107: <scene name='Sandbox_121/B2ar_struc/7'>Polar</scene> and <scene name='Sandbox_121/B2ar_struc/8'>Hydrophobic</scene> Interactions | ||
{{clear}} | {{clear}} | ||
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==='''Conformational Change'''=== | ==='''Conformational Change'''=== | ||
[[Image:B2AR-Binding_Pocket_OH.JPG|thumb|left|alt= Alt text| Models of isoproternol binding to two B2AR structures. (a) Inactive B2AR: 4.78Å distance between the catechol-OH of the ligand and Ser207 of TM5 is too large for a H-bond. (b) Active B2AR: A hydrogen bond distance of 2.17Å between the catechol-OH of the ligand and Ser207 on TM5 is shown. |300px]] | [[Image:B2AR-Binding_Pocket_OH.JPG|thumb|left|alt= Alt text| Models of isoproternol binding to two B2AR structures. (a) Inactive B2AR: 4.78Å distance between the catechol-OH of the ligand and Ser207 of TM5 is too large for a H-bond. (b) Active B2AR: A hydrogen bond distance of 2.17Å between the catechol-OH of the ligand and Ser207 on TM5 is shown. |300px]] | ||
