Study : Wbm0777 (atomeDB@cbs.cnrs.fr)


Main Binding Site Prediction:


Binding Site Prediction

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Binding Site Number :C3_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 C3_S1
Complex: DPM_A_3(3ECR) / Model_20(3ECR/A) = [7.8] Download1154.4225.91MLIRIGTRGSSLAIAQALEAKQKLLDLFSSLSVEIIKIKTSGDKYANANLAEIGGKGLFIKEIETELIKSNIDMAVHSLKDVPAFFSKDLTIPCILERLSPYDTFISNKYKSLKSLPQQAIIATSSIRRKVQLLNFRPDLNIVPLRGNVTTRLQNQSFDGIILAEAGLIRLKKDYLITEVLSPKTMLSAVGQGAICIQCRKNDIKIIDLLEKINNNKSFIRVKSERSFMKTVNGSCFTPLAALAKYVSENVLHLYCMLADKKNIYFTERTSFVEDAEKMGMDAGLELKSKCL
Complex: DPM_B_2(1YPN) / Model_4(1YPN/A) = [7.8] Download923.9322.40MLIRIGTRGSSLAIAQALEAKQKLLDLFSSLSVEIIKIKTSGDKYANANLAEIGGKGLFIKEIETELIKSNIDMAVHSLKDVPAFFSKDLTIPCILERLSPYDTFISNKYKSLKSLPQQAIIATSSIRRKVQLLNFRPDLNIVPLRGNVTTRLQNQSFDGIILAEAGLIRLKKDYLITEVLSPKTMLSAVGQGAICIQCRKNDIKIIDLLEKINNNKSFIRVKSERSFMKTVNGSCFTPLAALAKYVSENVLHLYCMLADKKNIYFTERTSFVEDAEKMGMDAGLELKSKCL
Complex: DPM_A_2(1AH5) / Model_5(1AH5/A) = [8.4] Download925.3623.26MLIRIGTRGSSLAIAQALEAKQKLLDLFSSLSVEIIKIKTSGDKYANANLAEIGGKGLFIKEIETELIKSNIDMAVHSLKDVPAFFSKDLTIPCILERLSPYDTFISNKYKSLKSLPQQAIIATSSIRRKVQLLNFRPDLNIVPLRGNVTTRLQNQSFDGIILAEAGLIRLKKDYLITEVLSPKTMLSAVGQGAICIQCRKNDIKIIDLLEKINNNKSFIRVKSERSFMKTVNGSCFTPLAALAKYVSENVLHLYCMLADKKNIYFTERTSFVEDAEKMGMDAGLELKSKCL
Complex: DPM_A_2(2YPN) / Model_1(2YPN/A) = [8.6] Download1000.5323.57MLIRIGTRGSSLAIAQALEAKQKLLDLFSSLSVEIIKIKTSGDKYANANLAEIGGKGLFIKEIETELIKSNIDMAVHSLKDVPAFFSKDLTIPCILERLSPYDTFISNKYKSLKSLPQQAIIATSSIRRKVQLLNFRPDLNIVPLRGNVTTRLQNQSFDGIILAEAGLIRLKKDYLITEVLSPKTMLSAVGQGAICIQCRKNDIKIIDLLEKINNNKSFIRVKSERSFMKTVNGSCFTPLAALAKYVSENVLHLYCMLADKKNIYFTERTSFVEDAEKMGMDAGLELKSKCL
Complex: DPM_A_2(1GTK) / Model_2(1GTK/A) = [8.7] Download938.6525.14MLIRIGTRGSSLAIAQALEAKQKLLDLFSSLSVEIIKIKTSGDKYANANLAEIGGKGLFIKEIETELIKSNIDMAVHSLKDVPAFFSKDLTIPCILERLSPYDTFISNKYKSLKSLPQQAIIATSSIRRKVQLLNFRPDLNIVPLRGNVTTRLQNQSFDGIILAEAGLIRLKKDYLITEVLSPKTMLSAVGQGAICIQCRKNDIKIIDLLEKINNNKSFIRVKSERSFMKTVNGSCFTPLAALAKYVSENVLHLYCMLADKKNIYFTERTSFVEDAEKMGMDAGLELKSKCL
Consensus
[pKd Mean = 8.26]
-988
(s=87)
24
(s=1)
MLIRIGTRGSSLAIAQALEAKQKLLDLFSSLSVEIIKIKTSGDKYANANLAEIGGKGLFIKEIETELIKSNIDMAVHSLKDVPAFFSKDLTIPCILERLSPYDTFISNKYKSLKSLPQQAIIATSSIRRKVQLLNFRPDLNIVPLRGNVTTRLQNQSFDGIILAEAGLIRLKKDYLITEVLSPKTMLSAVGQGAICIQCRKNDIKIIDLLEKINNNKSFIRVKSERSFMKTVNGSCFTPLAALAKYVSENVLHLYCMLADKKNIYFTERTSFVEDAEKMGMDAGLELKSKCL