Study : Wbm0556 (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: ADP_A_5(1GSA) / Model_1(1GSA/A) = [6.7] Download577.1219.97MDENINFETDTTFALIKEAQRRKYKVFAYAPSNLALKLNQPIALAQKVSVDDCNFTSKEDVVINLNEMDIIFIRQDPPFDMRYITTTYILEKTRALVINNPTEMRNCPEKLITSLFPELIPPTLITENISMIRDFYHDYRGIILKPLYSYGGNDVIRIQNENSIQVVVELMITKYKCPVIAQAFCKNVNKDKRILLLDGQPIGVMKRVPRVSGEIRTNLRLGASFEPVEMNDRDNEICNKIGPELKKRGLIFVGIDIVDDFLLEINITSPTGVVYINKLYNTSLEKDLWNTFEEKASSHISQPSL
Complex: ADP_A_5(1GSA) / Model_8(1GSA/A) = [7.1] Download713.0419.97MDENINFETDTTFALIKEAQRRKYKVFAYAPSNLALKLNQPIALAQKVSVDDCNFTSKEDVVINLNEMDIIFIRQDPPFDMRYITTTYILEKTRALVINNPTEMRNCPEKLITSLFPELIPPTLITENISMIRDFYHDYRGIILKPLYSYGGNDVIRIQNENSIQVVVELMITKYKCPVIAQAFCKNVNKDKRILLLDGQPIGVMKRVPRVSGEIRTNLRLGASFEPVEMNDRDNEICNKIGPELKKRGLIFVGIDIVDDFLLEINITSPTGVVYINKLYNTSLEKDLWNTFEEKASSHISQPSL
Consensus
[pKd Mean = 6.90]
-645
(s=67)
19
(s=0)
MDENINFETDTTFALIKEAQRRKYKVFAYAPSNLALKLNQPIALAQKVSVDDCNFTSKEDVVINLNEMDIIFIRQDPPFDMRYITTTYILEKTRALVINNPTEMRNCPEKLITSLFPELIPPTLITENISMIRDFYHDYRGIILKPLYSYGGNDVIRIQNENSIQVVVELMITKYKCPVIAQAFCKNVNKDKRILLLDGQPIGVMKRVPRVSGEIRTNLRLGASFEPVEMNDRDNEICNKIGPELKKRGLIFVGIDIVDDFLLEINITSPTGVVYINKLYNTSLEKDLWNTFEEKASSHISQPSL