Study : jhp_0506 (atomeDB@cbs.cnrs.fr)


Main Binding Site Prediction:


Binding Site Prediction

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Binding Site Number :C5_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 C5_S1
Complex: PM5_B_13(2FAD) / Model_52(2FAD/B) = [3.1] Download1086.4630.18MALFEDIQAVIAEQLNVDAAQVTPEAEFVKDLGADSLDVVELIMALEEKFNIEIPDEQAEKIVNVGDVVKYIEDNKLA
Complex: 1R3_B_6(4KEH) / Model_47(4KEH/D) = [3.3] Download42.629.50MALFEDIQAVIAEQLNVDAAQVTPEAEFVKDLGADSLDVVELIMALEEKFNIEIPDEQAEKIVNVGDVVKYIEDNKLA
Complex: 1R3_A_5(4KEH) / Model_48(4KEH/C) = [3.4] Download66.0922.00MALFEDIQAVIAEQLNVDAAQVTPEAEFVKDLGADSLDVVELIMALEEKFNIEIPDEQAEKIVNVGDVVKYIEDNKLA
Complex: PM8_A_11(2FAE) / Model_20(2FAE/A) = [3.8] Download1005.1828.87MALFEDIQAVIAEQLNVDAAQVTPEAEFVKDLGADSLDVVELIMALEEKFNIEIPDEQAEKIVNVGDVVKYIEDNKLA
Complex: IMD_A_16(1T8K) / Model_17(1T8K/A) = [3.9] Download414.6312.12MALFEDIQAVIAEQLNVDAAQVTPEAEFVKDLGADSLDVVELIMALEEKFNIEIPDEQAEKIVNVGDVVKYIEDNKLA
Consensus
[pKd Mean = 3.50]
-522
(s=447)
20
(s=8)
MALFEDIQAVIAEQLNVDAAQVTPEAEFVKDLGADSLDVVELIMALEEKFNIEIPDEQAEKIVNVGDVVKYIEDNKLA