Study : X_NR1I1_VDR (atomeDB@cbs.cnrs.fr)


Main Binding Site Prediction:


Binding Site Prediction

Download fasta file
Download text file


Binding Site Number :C4_S1
Best Complexes choosen after comparative docking [pKd > 3] : 5 (5 maxi)

Complexes [Theoretical pKd]FileVolume (A3)
(FPocket)
Hydrophobicity
Score(FPocket)
Contacts Ligand/Receptor [<4A] in Site C4_S1
Complex: 4OA_C_3(4Q0A) / Model_43(4Q0A/C) = [7.4] Download1059.0947.19MEFMAATTSIADTDMEFDKNVPRICGVCGDKATGFHFNAMTCEGCKGFFRRSMKRKAMFTCPFNGDCRITKDNRRHCQSCRLKRCVDIGMMKEFILTDEEVQRKRQMINKRKSEEALKESMRPKISDEQQKMIDILLEAHRKTFDTTYSDFNKFRPPVRENVDPFRRITRSSSVHTQGSPSEDSDVFTSSPDSSEHGFFSASLFGQFEYSSMGGKSGELSMLPHIADLVSYSIQKIIGFAKMIPGFRDLIAEDQIALLKSSVIEVIMLRSNQSFSLDDMSWTCGSEDFKYKVDDVTQAGHNMELLEPLVKFQVGLKKLDLHEEEHVLLMAICILSPDRPGLQDKALVESIQDRLSSTLQTYILCKHPPPGSRLLYAKMIQKLADLRSLNEEHSKQYRSISFLPEHSMKLTPLMLEVFSDEIP
Complex: 10S_A_3(3VJS) / Model_38(3VJS/A) = [8.4] Download1011.2242.61MEFMAATTSIADTDMEFDKNVPRICGVCGDKATGFHFNAMTCEGCKGFFRRSMKRKAMFTCPFNGDCRITKDNRRHCQSCRLKRCVDIGMMKEFILTDEEVQRKRQMINKRKSEEALKESMRPKISDEQQKMIDILLEAHRKTFDTTYSDFNKFRPPVRENVDPFRRITRSSSVHTQGSPSEDSDVFTSSPDSSEHGFFSASLFGQFEYSSMGGKSGELSMLPHIADLVSYSIQKIIGFAKMIPGFRDLIAEDQIALLKSSVIEVIMLRSNQSFSLDDMSWTCGSEDFKYKVDDVTQAGHNMELLEPLVKFQVGLKKLDLHEEEHVLLMAICILSPDRPGLQDKALVESIQDRLSSTLQTYILCKHPPPGSRLLYAKMIQKLADLRSLNEEHSKQYRSISFLPEHSMKLTPLMLEVFSDEIP
Complex: 10R_A_3(3VJT) / Model_37(3VJT/A) = [8.5] Download1023.8140.53MEFMAATTSIADTDMEFDKNVPRICGVCGDKATGFHFNAMTCEGCKGFFRRSMKRKAMFTCPFNGDCRITKDNRRHCQSCRLKRCVDIGMMKEFILTDEEVQRKRQMINKRKSEEALKESMRPKISDEQQKMIDILLEAHRKTFDTTYSDFNKFRPPVRENVDPFRRITRSSSVHTQGSPSEDSDVFTSSPDSSEHGFFSASLFGQFEYSSMGGKSGELSMLPHIADLVSYSIQKIIGFAKMIPGFRDLIAEDQIALLKSSVIEVIMLRSNQSFSLDDMSWTCGSEDFKYKVDDVTQAGHNMELLEPLVKFQVGLKKLDLHEEEHVLLMAICILSPDRPGLQDKALVESIQDRLSSTLQTYILCKHPPPGSRLLYAKMIQKLADLRSLNEEHSKQYRSISFLPEHSMKLTPLMLEVFSDEIP
Complex: VDX_A_2(3M7R) / Model_71(3M7R/A) = [9.0] Download905.0643.17MEFMAATTSIADTDMEFDKNVPRICGVCGDKATGFHFNAMTCEGCKGFFRRSMKRKAMFTCPFNGDCRITKDNRRHCQSCRLKRCVDIGMMKEFILTDEEVQRKRQMINKRKSEEALKESMRPKISDEQQKMIDILLEAHRKTFDTTYSDFNKFRPPVRENVDPFRRITRSSSVHTQGSPSEDSDVFTSSPDSSEHGFFSASLFGQFEYSSMGGKSGELSMLPHIADLVSYSIQKIIGFAKMIPGFRDLIAEDQIALLKSSVIEVIMLRSNQSFSLDDMSWTCGSEDFKYKVDDVTQAGHNMELLEPLVKFQVGLKKLDLHEEEHVLLMAICILSPDRPGLQDKALVESIQDRLSSTLQTYILCKHPPPGSRLLYAKMIQKLADLRSLNEEHSKQYRSISFLPEHSMKLTPLMLEVFSDEIP
Complex: 0VO_A_3(4G1Y) / Model_58(4G1Y/A) = [9.2] Download938.4646.94MEFMAATTSIADTDMEFDKNVPRICGVCGDKATGFHFNAMTCEGCKGFFRRSMKRKAMFTCPFNGDCRITKDNRRHCQSCRLKRCVDIGMMKEFILTDEEVQRKRQMINKRKSEEALKESMRPKISDEQQKMIDILLEAHRKTFDTTYSDFNKFRPPVRENVDPFRRITRSSSVHTQGSPSEDSDVFTSSPDSSEHGFFSASLFGQFEYSSMGGKSGELSMLPHIADLVSYSIQKIIGFAKMIPGFRDLIAEDQIALLKSSVIEVIMLRSNQSFSLDDMSWTCGSEDFKYKVDDVTQAGHNMELLEPLVKFQVGLKKLDLHEEEHVLLMAICILSPDRPGLQDKALVESIQDRLSSTLQTYILCKHPPPGSRLLYAKMIQKLADLRSLNEEHSKQYRSISFLPEHSMKLTPLMLEVFSDEIP
Consensus
[pKd Mean = 8.50]
-987
(s=56)
44
(s=2)
MEFMAATTSIADTDMEFDKNVPRICGVCGDKATGFHFNAMTCEGCKGFFRRSMKRKAMFTCPFNGDCRITKDNRRHCQSCRLKRCVDIGMMKEFILTDEEVQRKRQMINKRKSEEALKESMRPKISDEQQKMIDILLEAHRKTFDTTYSDFNKFRPPVRENVDPFRRITRSSSVHTQGSPSEDSDVFTSSPDSSEHGFFSASLFGQFEYSSMGGKSGELSMLPHIADLVSYSIQKIIGFAKMIPGFRDLIAEDQIALLKSSVIEVIMLRSNQSFSLDDMSWTCGSEDFKYKVDDVTQAGHNMELLEPLVKFQVGLKKLDLHEEEHVLLMAICILSPDRPGLQDKALVESIQDRLSSTLQTYILCKHPPPGSRLLYAKMIQKLADLRSLNEEHSKQYRSISFLPEHSMKLTPLMLEVFSDEIP