Study : Rv3028c (atomeDB@cbs.cnrs.fr)


Main Binding Site Prediction:


Binding Site Prediction

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Binding Site Number :C6_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 C6_S1
Complex: FAD_D_4(3CLU) / Model_8(3CLU/D) = [11.8] Download465.836.19MAEVLVLVEHAEGALKKVSAELITAARALGEPAAVVVGVPGTAAPLVDGLKAAGAAKIYVAESDLVDKYLITPAVDVLAGLAESSAPAGVLIAATADGKEIAGRLAARIGSGLLVDVVDVREGGVGVHSIFGGAFTVEAQANGDTPVITVRAGAVEAEPAAGAGEQVSVEVPAAAENAARITAREPAVAGDRPELTEATIVVAGGRGVGSAENFSVVEALADSLGAAVGASRAAVDSGYYPGQFQVGQTGKTVSPQLYIALGISGAIQHRAGMQTSKTIVAVNKDEEAPIFEIADYGVVGDLFKVAPQLTEAIKARKG
Complex: FAD_D_4(3CLS) / Model_14(3CLS/D) = [11.9] Download470.8314.37MAEVLVLVEHAEGALKKVSAELITAARALGEPAAVVVGVPGTAAPLVDGLKAAGAAKIYVAESDLVDKYLITPAVDVLAGLAESSAPAGVLIAATADGKEIAGRLAARIGSGLLVDVVDVREGGVGVHSIFGGAFTVEAQANGDTPVITVRAGAVEAEPAAGAGEQVSVEVPAAAENAARITAREPAVAGDRPELTEATIVVAGGRGVGSAENFSVVEALADSLGAAVGASRAAVDSGYYPGQFQVGQTGKTVSPQLYIALGISGAIQHRAGMQTSKTIVAVNKDEEAPIFEIADYGVVGDLFKVAPQLTEAIKARKG
Complex: FAD_D_5(3CLR) / Model_15(3CLR/D) = [12.0] Download524.2910.45MAEVLVLVEHAEGALKKVSAELITAARALGEPAAVVVGVPGTAAPLVDGLKAAGAAKIYVAESDLVDKYLITPAVDVLAGLAESSAPAGVLIAATADGKEIAGRLAARIGSGLLVDVVDVREGGVGVHSIFGGAFTVEAQANGDTPVITVRAGAVEAEPAAGAGEQVSVEVPAAAENAARITAREPAVAGDRPELTEATIVVAGGRGVGSAENFSVVEALADSLGAAVGASRAAVDSGYYPGQFQVGQTGKTVSPQLYIALGISGAIQHRAGMQTSKTIVAVNKDEEAPIFEIADYGVVGDLFKVAPQLTEAIKARKG
Complex: FAD_A_3(4L2I) / Model_7(4L2I/A) = [12.1] Download442.2118.30MAEVLVLVEHAEGALKKVSAELITAARALGEPAAVVVGVPGTAAPLVDGLKAAGAAKIYVAESDLVDKYLITPAVDVLAGLAESSAPAGVLIAATADGKEIAGRLAARIGSGLLVDVVDVREGGVGVHSIFGGAFTVEAQANGDTPVITVRAGAVEAEPAAGAGEQVSVEVPAAAENAARITAREPAVAGDRPELTEATIVVAGGRGVGSAENFSVVEALADSLGAAVGASRAAVDSGYYPGQFQVGQTGKTVSPQLYIALGISGAIQHRAGMQTSKTIVAVNKDEEAPIFEIADYGVVGDLFKVAPQLTEAIKARKG
Complex: FAD_A_3(2A1U) / Model_4(2A1U/A) = [12.1] Download499.8717.25MAEVLVLVEHAEGALKKVSAELITAARALGEPAAVVVGVPGTAAPLVDGLKAAGAAKIYVAESDLVDKYLITPAVDVLAGLAESSAPAGVLIAATADGKEIAGRLAARIGSGLLVDVVDVREGGVGVHSIFGGAFTVEAQANGDTPVITVRAGAVEAEPAAGAGEQVSVEVPAAAENAARITAREPAVAGDRPELTEATIVVAGGRGVGSAENFSVVEALADSLGAAVGASRAAVDSGYYPGQFQVGQTGKTVSPQLYIALGISGAIQHRAGMQTSKTIVAVNKDEEAPIFEIADYGVVGDLFKVAPQLTEAIKARKG
Consensus
[pKd Mean = 11.98]
-480
(s=28)
13
(s=4)
MAEVLVLVEHAEGALKKVSAELITAARALGEPAAVVVGVPGTAAPLVDGLKAAGAAKIYVAESDLVDKYLITPAVDVLAGLAESSAPAGVLIAATADGKEIAGRLAARIGSGLLVDVVDVREGGVGVHSIFGGAFTVEAQANGDTPVITVRAGAVEAEPAAGAGEQVSVEVPAAAENAARITAREPAVAGDRPELTEATIVVAGGRGVGSAENFSVVEALADSLGAAVGASRAAVDSGYYPGQFQVGQTGKTVSPQLYIALGISGAIQHRAGMQTSKTIVAVNKDEEAPIFEIADYGVVGDLFKVAPQLTEAIKARKG