Study : PA3967 (atomeDB@cbs.cnrs.fr)


Main Binding Site Prediction:


Binding Site Prediction

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Binding Site Number :C3_S1
Best Complexes choosen after comparative docking [pKd > 3] : 2 (5 maxi)

Complexes [Theoretical pKd]FileVolume (A3)
(FPocket)		Hydrophobicity
Score(FPocket)		Contacts Ligand/Receptor [<4A] in Site C3_S1
Complex: HEM_A_2(1TU9) / Model_1(1TU9/A) = [12.3] Download473.7739.40MNAADRVMQSYGRCCASTGFFDDFYRHFLASSPQIRAKFATTDMTAQKHLLRAGIMNLVMYARGMSDSKLRALGASHSRAALDIRPELYDLWLDALLMAVAEHDRDCDAETRDAWRDVMGRGIAVIKSYY
Complex: HEM_A_2(1TU9) / Model_9(1TU9/A) = [12.3] Download473.7739.40MNAADRVMQSYGRCCASTGFFDDFYRHFLASSPQIRAKFATTDMTAQKHLLRAGIMNLVMYARGMSDSKLRALGASHSRAALDIRPELYDLWLDALLMAVAEHDRDCDAETRDAWRDVMGRGIAVIKSYY
Consensus
[pKd Mean = 12.30]		-473
(s=0)		39
(s=0)		MNAADRVMQSYGRCCASTGFFDDFYRHFLASSPQIRAKFATTDMTAQKHLLRAGIMNLVMYARGMSDSKLRALGASHSRAALDIRPELYDLWLDALLMAVAEHDRDCDAETRDAWRDVMGRGIAVIKSYY