Study : PF00105_VDR_PIG (atomeDB@cbs.cnrs.fr)


Main Binding Site Prediction:


Binding Site Prediction

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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: 10R_A_3(3VJT) / Model_48(3VJT/A) = [8.7] Download1068.2547.65MEATAASTSLPDPGDFDRNVPRICGVCGDRATGFHFNAMTCEGCKGFFRRSMKRKALFTCPFNGDCRITKDNRRHCQACRLKRCVDIGMMKEFILTDEEVQRKREMILKRKEEEALKDSLRPKLSEEQQRIIAILLDAHHKTYDPTYADFGQFRPPVRGDEEEGTLPSRSSSAHAPSFSGSSSSSCSDQYTSSPDTMEPASFSHLDLSEEDSDDPSVTLDLSQLSMLPHLADLVSYSIQKVIGFAKMIPGFRDLTAEDQIVLLKSSAIEVIMLRSNQSFTMDDMSWTCGSRDYKYQVSDVAKAGHSLELIEPLIKFQVGLKKLNLHEEEHVLLMAICIVSPDRPGVQDPTLIEAIQDRLSNTLQTYIRCRHPPPGSHLLYAKMIQKLADLRSLNEEHSKQYRCLSFQPECSMKLTPLVLEVFGNEIS
Complex: 10S_A_3(3VJS) / Model_49(3VJS/A) = [8.8] Download956.3049.94MEATAASTSLPDPGDFDRNVPRICGVCGDRATGFHFNAMTCEGCKGFFRRSMKRKALFTCPFNGDCRITKDNRRHCQACRLKRCVDIGMMKEFILTDEEVQRKREMILKRKEEEALKDSLRPKLSEEQQRIIAILLDAHHKTYDPTYADFGQFRPPVRGDEEEGTLPSRSSSAHAPSFSGSSSSSCSDQYTSSPDTMEPASFSHLDLSEEDSDDPSVTLDLSQLSMLPHLADLVSYSIQKVIGFAKMIPGFRDLTAEDQIVLLKSSAIEVIMLRSNQSFTMDDMSWTCGSRDYKYQVSDVAKAGHSLELIEPLIKFQVGLKKLNLHEEEHVLLMAICIVSPDRPGVQDPTLIEAIQDRLSNTLQTYIRCRHPPPGSHLLYAKMIQKLADLRSLNEEHSKQYRCLSFQPECSMKLTPLVLEVFGNEIS
Complex: VDX_A_2(3M7R) / Model_52(3M7R/A) = [9.5] Download904.2748.89MEATAASTSLPDPGDFDRNVPRICGVCGDRATGFHFNAMTCEGCKGFFRRSMKRKALFTCPFNGDCRITKDNRRHCQACRLKRCVDIGMMKEFILTDEEVQRKREMILKRKEEEALKDSLRPKLSEEQQRIIAILLDAHHKTYDPTYADFGQFRPPVRGDEEEGTLPSRSSSAHAPSFSGSSSSSCSDQYTSSPDTMEPASFSHLDLSEEDSDDPSVTLDLSQLSMLPHLADLVSYSIQKVIGFAKMIPGFRDLTAEDQIVLLKSSAIEVIMLRSNQSFTMDDMSWTCGSRDYKYQVSDVAKAGHSLELIEPLIKFQVGLKKLNLHEEEHVLLMAICIVSPDRPGVQDPTLIEAIQDRLSNTLQTYIRCRHPPPGSHLLYAKMIQKLADLRSLNEEHSKQYRCLSFQPECSMKLTPLVLEVFGNEIS
Complex: DS2_A_2(3AZ1) / Model_43(3AZ1/A) = [10.0] Download839.5951.15MEATAASTSLPDPGDFDRNVPRICGVCGDRATGFHFNAMTCEGCKGFFRRSMKRKALFTCPFNGDCRITKDNRRHCQACRLKRCVDIGMMKEFILTDEEVQRKREMILKRKEEEALKDSLRPKLSEEQQRIIAILLDAHHKTYDPTYADFGQFRPPVRGDEEEGTLPSRSSSAHAPSFSGSSSSSCSDQYTSSPDTMEPASFSHLDLSEEDSDDPSVTLDLSQLSMLPHLADLVSYSIQKVIGFAKMIPGFRDLTAEDQIVLLKSSAIEVIMLRSNQSFTMDDMSWTCGSRDYKYQVSDVAKAGHSLELIEPLIKFQVGLKKLNLHEEEHVLLMAICIVSPDRPGVQDPTLIEAIQDRLSNTLQTYIRCRHPPPGSHLLYAKMIQKLADLRSLNEEHSKQYRCLSFQPECSMKLTPLVLEVFGNEIS
Complex: MCZ_A_2(3B0T) / Model_57(3B0T/A) = [10.2] Download1020.2151.19MEATAASTSLPDPGDFDRNVPRICGVCGDRATGFHFNAMTCEGCKGFFRRSMKRKALFTCPFNGDCRITKDNRRHCQACRLKRCVDIGMMKEFILTDEEVQRKREMILKRKEEEALKDSLRPKLSEEQQRIIAILLDAHHKTYDPTYADFGQFRPPVRGDEEEGTLPSRSSSAHAPSFSGSSSSSCSDQYTSSPDTMEPASFSHLDLSEEDSDDPSVTLDLSQLSMLPHLADLVSYSIQKVIGFAKMIPGFRDLTAEDQIVLLKSSAIEVIMLRSNQSFTMDDMSWTCGSRDYKYQVSDVAKAGHSLELIEPLIKFQVGLKKLNLHEEEHVLLMAICIVSPDRPGVQDPTLIEAIQDRLSNTLQTYIRCRHPPPGSHLLYAKMIQKLADLRSLNEEHSKQYRCLSFQPECSMKLTPLVLEVFGNEIS
Consensus
[pKd Mean = 9.44]
-957
(s=81)
49
(s=1)
MEATAASTSLPDPGDFDRNVPRICGVCGDRATGFHFNAMTCEGCKGFFRRSMKRKALFTCPFNGDCRITKDNRRHCQACRLKRCVDIGMMKEFILTDEEVQRKREMILKRKEEEALKDSLRPKLSEEQQRIIAILLDAHHKTYDPTYADFGQFRPPVRGDEEEGTLPSRSSSAHAPSFSGSSSSSCSDQYTSSPDTMEPASFSHLDLSEEDSDDPSVTLDLSQLSMLPHLADLVSYSIQKVIGFAKMIPGFRDLTAEDQIVLLKSSAIEVIMLRSNQSFTMDDMSWTCGSRDYKYQVSDVAKAGHSLELIEPLIKFQVGLKKLNLHEEEHVLLMAICIVSPDRPGVQDPTLIEAIQDRLSNTLQTYIRCRHPPPGSHLLYAKMIQKLADLRSLNEEHSKQYRCLSFQPECSMKLTPLVLEVFGNEIS