Study : Lmo2245 (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] : 3 (5 maxi)

Complexes [Theoretical pKd]FileVolume (A3)
(FPocket)		Hydrophobicity
Score(FPocket)		Contacts Ligand/Receptor [<4A] in Site C2_S1
Complex: UNL_A_3(3CT8) / Model_1(3CT8/A) = [4.8] Download1373.921.50MLHHVEIYVADLEESRLFWSWLLEELSYEFYQSWNEGFSYKYADTYLVFVQTEEPFISEGYHRKRVGLNHLAFHGGTKERVDDFRVKLKAKGIKLLYEERYPFAGGKNHYAVFFEDPNGIKVEICTEVTT
Complex: UNL_A_3(3CT8) / Model_52(3CT8/A) = [4.8] Download1588.621.50MLHHVEIYVADLEESRLFWSWLLEELSYEFYQSWNEGFSYKYADTYLVFVQTEEPFISEGYHRKRVGLNHLAFHGGTKERVDDFRVKLKAKGIKLLYEERYPFAGGKNHYAVFFEDPNGIKVEICTEVTT
Complex: UNL_A_3(3CT8) / Model_34(3CT8/A) = [4.8] Download1513.481.50MLHHVEIYVADLEESRLFWSWLLEELSYEFYQSWNEGFSYKYADTYLVFVQTEEPFISEGYHRKRVGLNHLAFHGGTKERVDDFRVKLKAKGIKLLYEERYPFAGGKNHYAVFFEDPNGIKVEICTEVTT
Consensus
[pKd Mean = 4.80]		-1492
(s=88)		1
(s=0)		MLHHVEIYVADLEESRLFWSWLLEELSYEFYQSWNEGFSYKYADTYLVFVQTEEPFISEGYHRKRVGLNHLAFHGGTKERVDDFRVKLKAKGIKLLYEERYPFAGGKNHYAVFFEDPNGIKVEICTEVTT