Study : bsu12320 (atomeDB@cbs.cnrs.fr)


Main Binding Site Prediction:


Binding Site Prediction

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Binding Site Number :C8_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 C8_S1
Complex: FMT_A_5(1X0A) / Model_6(1X0A/A) = [3.3] Download304.8532.83MKTITIAAEEAKELVWQKLDGAGLNERDAEKVADVLVHADLRNVHSHGVLHTEHYVNRLLAGGINPGAQPVFKETGPVTGVLDGDDGFGHVNCDMAMDHAIDMAKKKGVGMVTAVNSSHCGALSYFVQKAADEKLIGMAMTHTDSIVVPFGGRTPILGTNPIAYGVPAKHKKPFILDMATSKVAFGKILQAREEGKEIPEGWGVDENGEAVTDPDKVVSLSTFGGPKGYGLSIVVDVFSGLLAGAAFGPHIAKMYNGLDQKRKLGHYVCAINPSFFTDWDTFLEQMDAMIDELQQSPPAVGFERVYVPGEIEQLHEERNKKNGISIARSVYEFLKSR
Complex: NDP_A_2(1V9N) / Model_35(1V9N/A) = [5.2] Download1766.5022.05MKTITIAAEEAKELVWQKLDGAGLNERDAEKVADVLVHADLRNVHSHGVLHTEHYVNRLLAGGINPGAQPVFKETGPVTGVLDGDDGFGHVNCDMAMDHAIDMAKKKGVGMVTAVNSSHCGALSYFVQKAADEKLIGMAMTHTDSIVVPFGGRTPILGTNPIAYGVPAKHKKPFILDMATSKVAFGKILQAREEGKEIPEGWGVDENGEAVTDPDKVVSLSTFGGPKGYGLSIVVDVFSGLLAGAAFGPHIAKMYNGLDQKRKLGHYVCAINPSFFTDWDTFLEQMDAMIDELQQSPPAVGFERVYVPGEIEQLHEERNKKNGISIARSVYEFLKSR
Complex: NDP_A_2(1V9N) / Model_8(1V9N/A) = [5.3] Download1892.7822.05MKTITIAAEEAKELVWQKLDGAGLNERDAEKVADVLVHADLRNVHSHGVLHTEHYVNRLLAGGINPGAQPVFKETGPVTGVLDGDDGFGHVNCDMAMDHAIDMAKKKGVGMVTAVNSSHCGALSYFVQKAADEKLIGMAMTHTDSIVVPFGGRTPILGTNPIAYGVPAKHKKPFILDMATSKVAFGKILQAREEGKEIPEGWGVDENGEAVTDPDKVVSLSTFGGPKGYGLSIVVDVFSGLLAGAAFGPHIAKMYNGLDQKRKLGHYVCAINPSFFTDWDTFLEQMDAMIDELQQSPPAVGFERVYVPGEIEQLHEERNKKNGISIARSVYEFLKSR
Complex: NAI_B_5(4FJU) / Model_21(4FJU/B) = [5.9] Download1649.2921.00MKTITIAAEEAKELVWQKLDGAGLNERDAEKVADVLVHADLRNVHSHGVLHTEHYVNRLLAGGINPGAQPVFKETGPVTGVLDGDDGFGHVNCDMAMDHAIDMAKKKGVGMVTAVNSSHCGALSYFVQKAADEKLIGMAMTHTDSIVVPFGGRTPILGTNPIAYGVPAKHKKPFILDMATSKVAFGKILQAREEGKEIPEGWGVDENGEAVTDPDKVVSLSTFGGPKGYGLSIVVDVFSGLLAGAAFGPHIAKMYNGLDQKRKLGHYVCAINPSFFTDWDTFLEQMDAMIDELQQSPPAVGFERVYVPGEIEQLHEERNKKNGISIARSVYEFLKSR
Complex: NAI_A_3(4FJU) / Model_3(4FJU/A) = [6.5] Download1608.3020.78MKTITIAAEEAKELVWQKLDGAGLNERDAEKVADVLVHADLRNVHSHGVLHTEHYVNRLLAGGINPGAQPVFKETGPVTGVLDGDDGFGHVNCDMAMDHAIDMAKKKGVGMVTAVNSSHCGALSYFVQKAADEKLIGMAMTHTDSIVVPFGGRTPILGTNPIAYGVPAKHKKPFILDMATSKVAFGKILQAREEGKEIPEGWGVDENGEAVTDPDKVVSLSTFGGPKGYGLSIVVDVFSGLLAGAAFGPHIAKMYNGLDQKRKLGHYVCAINPSFFTDWDTFLEQMDAMIDELQQSPPAVGFERVYVPGEIEQLHEERNKKNGISIARSVYEFLKSR
Consensus
[pKd Mean = 5.24]
-1444
(s=578)
23
(s=4)
MKTITIAAEEAKELVWQKLDGAGLNERDAEKVADVLVHADLRNVHSHGVLHTEHYVNRLLAGGINPGAQPVFKETGPVTGVLDGDDGFGHVNCDMAMDHAIDMAKKKGVGMVTAVNSSHCGALSYFVQKAADEKLIGMAMTHTDSIVVPFGGRTPILGTNPIAYGVPAKHKKPFILDMATSKVAFGKILQAREEGKEIPEGWGVDENGEAVTDPDKVVSLSTFGGPKGYGLSIVVDVFSGLLAGAAFGPHIAKMYNGLDQKRKLGHYVCAINPSFFTDWDTFLEQMDAMIDELQQSPPAVGFERVYVPGEIEQLHEERNKKNGISIARSVYEFLKSR