Study : bsu34550 (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: G1P_A_4(2WF8) / Model_12(2WF8/A) = [4.4] Download472.79-0.92MKAVIFDLDGVITDTAEYHFLAWKHIAEQIDIPFDRDMNERLKGISREESLESILIFGGAETKYTNAEKQELMHRKNRDYQMLISKLTPEDLLPGIGRLLCQLKNENIKIGLASSSRNAPKILRRLAIIDDFHAIVDPTTLAKGKPDPDIFLTAAAMLDVSPADCAAIEDAEAGISAIKSAGMFAVGVGQGQPMLGADLVVRQTSDLTLELLHEEWEQYRIRESIP
Complex: G6P_A_3(2WF9) / Model_13(2WF9/A) = [4.4] Download501.07-0.22MKAVIFDLDGVITDTAEYHFLAWKHIAEQIDIPFDRDMNERLKGISREESLESILIFGGAETKYTNAEKQELMHRKNRDYQMLISKLTPEDLLPGIGRLLCQLKNENIKIGLASSSRNAPKILRRLAIIDDFHAIVDPTTLAKGKPDPDIFLTAAAMLDVSPADCAAIEDAEAGISAIKSAGMFAVGVGQGQPMLGADLVVRQTSDLTLELLHEEWEQYRIRESIP
Complex: GL1_A_5(1Z4N) / Model_5(1Z4N/A) = [4.9] Download469.594.67MKAVIFDLDGVITDTAEYHFLAWKHIAEQIDIPFDRDMNERLKGISREESLESILIFGGAETKYTNAEKQELMHRKNRDYQMLISKLTPEDLLPGIGRLLCQLKNENIKIGLASSSRNAPKILRRLAIIDDFHAIVDPTTLAKGKPDPDIFLTAAAMLDVSPADCAAIEDAEAGISAIKSAGMFAVGVGQGQPMLGADLVVRQTSDLTLELLHEEWEQYRIRESIP
Complex: GL1_B_6(1Z4N) / Model_23(1Z4N/B) = [5.0] Download485.117.14MKAVIFDLDGVITDTAEYHFLAWKHIAEQIDIPFDRDMNERLKGISREESLESILIFGGAETKYTNAEKQELMHRKNRDYQMLISKLTPEDLLPGIGRLLCQLKNENIKIGLASSSRNAPKILRRLAIIDDFHAIVDPTTLAKGKPDPDIFLTAAAMLDVSPADCAAIEDAEAGISAIKSAGMFAVGVGQGQPMLGADLVVRQTSDLTLELLHEEWEQYRIRESIP
Complex: BG6_A_4(2WF6) / Model_11(2WF6/A) = [5.1] Download553.52-1.04MKAVIFDLDGVITDTAEYHFLAWKHIAEQIDIPFDRDMNERLKGISREESLESILIFGGAETKYTNAEKQELMHRKNRDYQMLISKLTPEDLLPGIGRLLCQLKNENIKIGLASSSRNAPKILRRLAIIDDFHAIVDPTTLAKGKPDPDIFLTAAAMLDVSPADCAAIEDAEAGISAIKSAGMFAVGVGQGQPMLGADLVVRQTSDLTLELLHEEWEQYRIRESIP
Consensus
[pKd Mean = 4.76]
-496
(s=30)
1
(s=3)
MKAVIFDLDGVITDTAEYHFLAWKHIAEQIDIPFDRDMNERLKGISREESLESILIFGGAETKYTNAEKQELMHRKNRDYQMLISKLTPEDLLPGIGRLLCQLKNENIKIGLASSSRNAPKILRRLAIIDDFHAIVDPTTLAKGKPDPDIFLTAAAMLDVSPADCAAIEDAEAGISAIKSAGMFAVGVGQGQPMLGADLVVRQTSDLTLELLHEEWEQYRIRESIP