Study : PA0807 (atomeDB@cbs.cnrs.fr)


Main Binding Site Prediction:


Binding Site Prediction

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Binding Site Number :C2_S1
Best Complexes choosen after comparative docking [pKd > 3] : 4 (5 maxi)

Complexes [Theoretical pKd]FileVolume (A3)
(FPocket)
Hydrophobicity
Score(FPocket)
Contacts Ligand/Receptor [<4A] in Site C2_S1
Complex: CHAIN_C_3(4BXE) / Model_17(4BXE/B) = [3.3] Download--MLTIDYNSYRTTTPYGKRVRFLVLHYTALDFAASVKALTTGAASAHYLIPAPHDPSYKAAGFKGQRIFNLVAEEDRAWHAGVSGWARRDNLNDTSIGIEIVNLARDDDGVFTFPDYERSQINALKQLAKNILQRYPDMTPKNVVGHSDIAVGRKSDPGPKLPWKELYEAGIGAWYDDATRDRYREGFERDGLPPRADLLEAFRLYGYALPATVDDAYFASLLRAFQMHFRPENYDGALDVETAAILYALNEKYPA
Complex: J0J_B_6(4BOL) / Model_21(4BOL/B) = [4.6] Download1340.587.41MLTIDYNSYRTTTPYGKRVRFLVLHYTALDFAASVKALTTGAASAHYLIPAPHDPSYKAAGFKGQRIFNLVAEEDRAWHAGVSGWARRDNLNDTSIGIEIVNLARDDDGVFTFPDYERSQINALKQLAKNILQRYPDMTPKNVVGHSDIAVGRKSDPGPKLPWKELYEAGIGAWYDDATRDRYREGFERDGLPPRADLLEAFRLYGYALPATVDDAYFASLLRAFQMHFRPENYDGALDVETAAILYALNEKYPA
Complex: CHAIN_B_2(3D2Y) / Model_51(3D2Y/A) = [6.7] Download--MLTIDYNSYRTTTPYGKRVRFLVLHYTALDFAASVKALTTGAASAHYLIPAPHDPSYKAAGFKGQRIFNLVAEEDRAWHAGVSGWARRDNLNDTSIGIEIVNLARDDDGVFTFPDYERSQINALKQLAKNILQRYPDMTPKNVVGHSDIAVGRKSDPGPKLPWKELYEAGIGAWYDDATRDRYREGFERDGLPPRADLLEAFRLYGYALPATVDDAYFASLLRAFQMHFRPENYDGALDVETAAILYALNEKYPA
Complex: CHAIN_B_2(3D2Y) / Model_28(3D2Y/A) = [6.7] Download--MLTIDYNSYRTTTPYGKRVRFLVLHYTALDFAASVKALTTGAASAHYLIPAPHDPSYKAAGFKGQRIFNLVAEEDRAWHAGVSGWARRDNLNDTSIGIEIVNLARDDDGVFTFPDYERSQINALKQLAKNILQRYPDMTPKNVVGHSDIAVGRKSDPGPKLPWKELYEAGIGAWYDDATRDRYREGFERDGLPPRADLLEAFRLYGYALPATVDDAYFASLLRAFQMHFRPENYDGALDVETAAILYALNEKYPA
Consensus
[pKd Mean = 5.33]
-1340
(s=0)
7
(s=0)
MLTIDYNSYRTTTPYGKRVRFLVLHYTALDFAASVKALTTGAASAHYLIPAPHDPSYKAAGFKGQRIFNLVAEEDRAWHAGVSGWARRDNLNDTSIGIEIVNLARDDDGVFTFPDYERSQINALKQLAKNILQRYPDMTPKNVVGHSDIAVGRKSDPGPKLPWKELYEAGIGAWYDDATRDRYREGFERDGLPPRADLLEAFRLYGYALPATVDDAYFASLLRAFQMHFRPENYDGALDVETAAILYALNEKYPA