Study : PA3332 (atomeDB@cbs.cnrs.fr)


Main Binding Site Prediction:


Binding Site Prediction

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Binding Site Number :C4_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 C4_S1
Complex: GOL_C_11(1S5A) / Model_32(1S5A/C) = [3.3] Download391.4648.36MNAKEILVHSLRLLENGDARGWCDLFHPEGVLEFPYAPPGWKTRFEGRETIWAHMRLFPEHLTVRFTDVQFYETADPDLAIGEFHGDGVATVSGGKLAQDYISVLRTRDGQILLYRDFWNPLRHLEALGGVEAAAKIVQGA
Complex: DOG_D_13(4J9A) / Model_28(4J9A/D) = [4.0] Download740.3857.21MNAKEILVHSLRLLENGDARGWCDLFHPEGVLEFPYAPPGWKTRFEGRETIWAHMRLFPEHLTVRFTDVQFYETADPDLAIGEFHGDGVATVSGGKLAQDYISVLRTRDGQILLYRDFWNPLRHLEALGGVEAAAKIVQGA
Complex: DOG_F_15(4J9A) / Model_26(4J9A/F) = [4.1] Download1217.8054.19MNAKEILVHSLRLLENGDARGWCDLFHPEGVLEFPYAPPGWKTRFEGRETIWAHMRLFPEHLTVRFTDVQFYETADPDLAIGEFHGDGVATVSGGKLAQDYISVLRTRDGQILLYRDFWNPLRHLEALGGVEAAAKIVQGA
Complex: DOG_B_6(4J8T) / Model_23(4J8T/B) = [4.8] Download1013.3150.88MNAKEILVHSLRLLENGDARGWCDLFHPEGVLEFPYAPPGWKTRFEGRETIWAHMRLFPEHLTVRFTDVQFYETADPDLAIGEFHGDGVATVSGGKLAQDYISVLRTRDGQILLYRDFWNPLRHLEALGGVEAAAKIVQGA
Complex: DOG_G_16(4J9A) / Model_25(4J9A/G) = [4.8] Download1146.7645.95MNAKEILVHSLRLLENGDARGWCDLFHPEGVLEFPYAPPGWKTRFEGRETIWAHMRLFPEHLTVRFTDVQFYETADPDLAIGEFHGDGVATVSGGKLAQDYISVLRTRDGQILLYRDFWNPLRHLEALGGVEAAAKIVQGA
Consensus
[pKd Mean = 4.20]
-901
(s=302)
51
(s=4)
MNAKEILVHSLRLLENGDARGWCDLFHPEGVLEFPYAPPGWKTRFEGRETIWAHMRLFPEHLTVRFTDVQFYETADPDLAIGEFHGDGVATVSGGKLAQDYISVLRTRDGQILLYRDFWNPLRHLEALGGVEAAAKIVQGA