Study : Rv1511 (atomeDB@cbs.cnrs.fr)


Main Binding Site Prediction:


Binding Site Prediction

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Binding Site Number :C1_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 C1_S1
Complex: GDP_B_6(1N7H) / Model_21(1N7H/B) = [8.6] Download817.7220.57MKRALITGITGQDGSYLAELLLAKGYEVHGLIRRASTFNTSRIDHLYVDPHQPGARLFLHYGDLIDGTRLVTLLSTIEPDEVYNLAAQSHVRVSFDEPVHTGDTTGMGSMRLLEAVRLSRVHCRFYQASSSEMFGASPPPQNELTPFYPRSPYGAAKVYSYWATRNYREAYGLFAVNGILFNHESPRRGETFVTRKITRAVARIKAGIQSEVYMGNLDAVRDWGYAPEYVEGMWRMLQTDEPDDFVLATGRGFTVREFARAAFEHAGLDWQQYVKFDQRYLRPTEVDSLIGDATKAAELLGWRASVHTDELARIMVDADMAALECEGKPWIDKPMIAGRT
Complex: GDP_A_4(1N7H) / Model_2(1N7H/A) = [8.9] Download777.0420.57MKRALITGITGQDGSYLAELLLAKGYEVHGLIRRASTFNTSRIDHLYVDPHQPGARLFLHYGDLIDGTRLVTLLSTIEPDEVYNLAAQSHVRVSFDEPVHTGDTTGMGSMRLLEAVRLSRVHCRFYQASSSEMFGASPPPQNELTPFYPRSPYGAAKVYSYWATRNYREAYGLFAVNGILFNHESPRRGETFVTRKITRAVARIKAGIQSEVYMGNLDAVRDWGYAPEYVEGMWRMLQTDEPDDFVLATGRGFTVREFARAAFEHAGLDWQQYVKFDQRYLRPTEVDSLIGDATKAAELLGWRASVHTDELARIMVDADMAALECEGKPWIDKPMIAGRT
Complex: NDP_B_5(1N7H) / Model_21(1N7H/B) = [11.9] Download1528.3517.75MKRALITGITGQDGSYLAELLLAKGYEVHGLIRRASTFNTSRIDHLYVDPHQPGARLFLHYGDLIDGTRLVTLLSTIEPDEVYNLAAQSHVRVSFDEPVHTGDTTGMGSMRLLEAVRLSRVHCRFYQASSSEMFGASPPPQNELTPFYPRSPYGAAKVYSYWATRNYREAYGLFAVNGILFNHESPRRGETFVTRKITRAVARIKAGIQSEVYMGNLDAVRDWGYAPEYVEGMWRMLQTDEPDDFVLATGRGFTVREFARAAFEHAGLDWQQYVKFDQRYLRPTEVDSLIGDATKAAELLGWRASVHTDELARIMVDADMAALECEGKPWIDKPMIAGRT
Complex: NDP_A_3(1N7H) / Model_103(1N7H/A) = [12.0] Download1382.6016.13MKRALITGITGQDGSYLAELLLAKGYEVHGLIRRASTFNTSRIDHLYVDPHQPGARLFLHYGDLIDGTRLVTLLSTIEPDEVYNLAAQSHVRVSFDEPVHTGDTTGMGSMRLLEAVRLSRVHCRFYQASSSEMFGASPPPQNELTPFYPRSPYGAAKVYSYWATRNYREAYGLFAVNGILFNHESPRRGETFVTRKITRAVARIKAGIQSEVYMGNLDAVRDWGYAPEYVEGMWRMLQTDEPDDFVLATGRGFTVREFARAAFEHAGLDWQQYVKFDQRYLRPTEVDSLIGDATKAAELLGWRASVHTDELARIMVDADMAALECEGKPWIDKPMIAGRT
Complex: NDP_A_3(1N7H) / Model_2(1N7H/A) = [12.0] Download1560.9516.13MKRALITGITGQDGSYLAELLLAKGYEVHGLIRRASTFNTSRIDHLYVDPHQPGARLFLHYGDLIDGTRLVTLLSTIEPDEVYNLAAQSHVRVSFDEPVHTGDTTGMGSMRLLEAVRLSRVHCRFYQASSSEMFGASPPPQNELTPFYPRSPYGAAKVYSYWATRNYREAYGLFAVNGILFNHESPRRGETFVTRKITRAVARIKAGIQSEVYMGNLDAVRDWGYAPEYVEGMWRMLQTDEPDDFVLATGRGFTVREFARAAFEHAGLDWQQYVKFDQRYLRPTEVDSLIGDATKAAELLGWRASVHTDELARIMVDADMAALECEGKPWIDKPMIAGRT
Consensus
[pKd Mean = 10.68]		-1213
(s=345)		18
(s=2)		MKRALITGITGQDGSYLAELLLAKGYEVHGLIRRASTFNTSRIDHLYVDPHQPGARLFLHYGDLIDGTRLVTLLSTIEPDEVYNLAAQSHVRVSFDEPVHTGDTTGMGSMRLLEAVRLSRVHCRFYQASSSEMFGASPPPQNELTPFYPRSPYGAAKVYSYWATRNYREAYGLFAVNGILFNHESPRRGETFVTRKITRAVARIKAGIQSEVYMGNLDAVRDWGYAPEYVEGMWRMLQTDEPDDFVLATGRGFTVREFARAAFEHAGLDWQQYVKFDQRYLRPTEVDSLIGDATKAAELLGWRASVHTDELARIMVDADMAALECEGKPWIDKPMIAGRT