Study : bsu24890 (atomeDB@cbs.cnrs.fr)


Main Binding Site Prediction:


Binding Site Prediction

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Binding Site Number :C7_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 C7_S1
Complex: ADP_A_3(2JCB) / Model_25(2JCB/A) = [6.0] Download880.687.53MKSQLRKKTLEALSALSNEDILQKTERMYKYLFSLPEWQNAGTIAVTISRGLEIPTRPVIEQAWEEGKQVCIPKCHPDTKKMQFRTYQTDDQLETVYAGLLEPVIEKTKEVNPSQIDLMIVPGVCFDVNGFRVGFGGGYYDRYLSEYEGKTVSLLLECQLFAHVPRLPHDIPVHKLITEDRIISCFS
Complex: ADP_A_3(2JCB) / Model_2(2JCB/A) = [6.0] Download786.957.53MKSQLRKKTLEALSALSNEDILQKTERMYKYLFSLPEWQNAGTIAVTISRGLEIPTRPVIEQAWEEGKQVCIPKCHPDTKKMQFRTYQTDDQLETVYAGLLEPVIEKTKEVNPSQIDLMIVPGVCFDVNGFRVGFGGGYYDRYLSEYEGKTVSLLLECQLFAHVPRLPHDIPVHKLITEDRIISCFS
Complex: ADP_B_6(2JCB) / Model_21(2JCB/B) = [6.1] Download936.176.90MKSQLRKKTLEALSALSNEDILQKTERMYKYLFSLPEWQNAGTIAVTISRGLEIPTRPVIEQAWEEGKQVCIPKCHPDTKKMQFRTYQTDDQLETVYAGLLEPVIEKTKEVNPSQIDLMIVPGVCFDVNGFRVGFGGGYYDRYLSEYEGKTVSLLLECQLFAHVPRLPHDIPVHKLITEDRIISCFS
Consensus
[pKd Mean = 6.03]		-867
(s=61)		7
(s=0)		MKSQLRKKTLEALSALSNEDILQKTERMYKYLFSLPEWQNAGTIAVTISRGLEIPTRPVIEQAWEEGKQVCIPKCHPDTKKMQFRTYQTDDQLETVYAGLLEPVIEKTKEVNPSQIDLMIVPGVCFDVNGFRVGFGGGYYDRYLSEYEGKTVSLLLECQLFAHVPRLPHDIPVHKLITEDRIISCFS