Study : PA2905 (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] : 3 (5 maxi)

Complexes [Theoretical pKd]FileVolume (A3)
(FPocket)
Hydrophobicity
Score(FPocket)
Contacts Ligand/Receptor [<4A] in Site C5_S1
Complex: P8X_A_2(4AU1) / Model_5(4AU1/A) = [5.4] Download2629.6813.96MIDYIRDGQAIYRQSFATIRAEANLAGIPADLEKLAVRVIHACGMVDVVDDLRFSPGAGAAGRAALAAGAAILCDARMVAEGVTRSRLPAANRVICTLNEADVPALATELGNTRSAVALEHWREHLEGSVVVIGNAPTALFYLLEMLDAGAPKPALILGFPVGFVGAAESKEMLAADSRGVPYVIVRGRRGGSAMAAAAVNALATERE
Complex: COJ_C_3(1I1H) / Model_3(1I1H/A) = [5.8] Download2975.318.83MIDYIRDGQAIYRQSFATIRAEANLAGIPADLEKLAVRVIHACGMVDVVDDLRFSPGAGAAGRAALAAGAAILCDARMVAEGVTRSRLPAANRVICTLNEADVPALATELGNTRSAVALEHWREHLEGSVVVIGNAPTALFYLLEMLDAGAPKPALILGFPVGFVGAAESKEMLAADSRGVPYVIVRGRRGGSAMAAAAVNALATERE
Complex: 0UK_A_2(4FDV) / Model_4(4FDV/A) = [5.8] Download2059.7811.46MIDYIRDGQAIYRQSFATIRAEANLAGIPADLEKLAVRVIHACGMVDVVDDLRFSPGAGAAGRAALAAGAAILCDARMVAEGVTRSRLPAANRVICTLNEADVPALATELGNTRSAVALEHWREHLEGSVVVIGNAPTALFYLLEMLDAGAPKPALILGFPVGFVGAAESKEMLAADSRGVPYVIVRGRRGGSAMAAAAVNALATERE
Consensus
[pKd Mean = 5.67]
-2554
(s=377)
11
(s=2)
MIDYIRDGQAIYRQSFATIRAEANLAGIPADLEKLAVRVIHACGMVDVVDDLRFSPGAGAAGRAALAAGAAILCDARMVAEGVTRSRLPAANRVICTLNEADVPALATELGNTRSAVALEHWREHLEGSVVVIGNAPTALFYLLEMLDAGAPKPALILGFPVGFVGAAESKEMLAADSRGVPYVIVRGRRGGSAMAAAAVNALATERE