Study : Wbm0618 (atomeDB@cbs.cnrs.fr)


Main Binding Site Prediction:


Binding Site Prediction

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Binding Site Number :C1_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 C1_S1
Complex: ATP_A_7(4YMU) / Model_22(4YMU/A) = [5.3] Download1313.2411.67MHSPIISISNLHLSFNDKIILNDISLDILKGESLVILGSSGSGKSVLTKTIIGLLAPDSGSIKINSKSKNKFGVLFQNSALFDYVAVWENISFNYRKRFNISKKEAKQLAIEKLNDVGLEKNIADMFPIELSGGMKKRVALARAIAHNPEIIMLDEPTSGLDPIMSDIVKETIVKLSKDPSPTIITITHDIHDAFKIADKIAVLYEGSIISHGTVQEIKNTKNEYIKKFIRYVGTK
Complex: ATP_J_5(4YMU) / Model_3(4YMU/J) = [5.4] Download1216.4511.67MHSPIISISNLHLSFNDKIILNDISLDILKGESLVILGSSGSGKSVLTKTIIGLLAPDSGSIKINSKSKNKFGVLFQNSALFDYVAVWENISFNYRKRFNISKKEAKQLAIEKLNDVGLEKNIADMFPIELSGGMKKRVALARAIAHNPEIIMLDEPTSGLDPIMSDIVKETIVKLSKDPSPTIITITHDIHDAFKIADKIAVLYEGSIISHGTVQEIKNTKNEYIKKFIRYVGTK
Complex: ANP_J_5(3C41) / Model_67(3C41/J) = [7.5] Download1270.254.83MHSPIISISNLHLSFNDKIILNDISLDILKGESLVILGSSGSGKSVLTKTIIGLLAPDSGSIKINSKSKNKFGVLFQNSALFDYVAVWENISFNYRKRFNISKKEAKQLAIEKLNDVGLEKNIADMFPIELSGGMKKRVALARAIAHNPEIIMLDEPTSGLDPIMSDIVKETIVKLSKDPSPTIITITHDIHDAFKIADKIAVLYEGSIISHGTVQEIKNTKNEYIKKFIRYVGTK
Consensus
[pKd Mean = 6.07]		-1266
(s=39)		9
(s=3)		MHSPIISISNLHLSFNDKIILNDISLDILKGESLVILGSSGSGKSVLTKTIIGLLAPDSGSIKINSKSKNKFGVLFQNSALFDYVAVWENISFNYRKRFNISKKEAKQLAIEKLNDVGLEKNIADMFPIELSGGMKKRVALARAIAHNPEIIMLDEPTSGLDPIMSDIVKETIVKLSKDPSPTIITITHDIHDAFKIADKIAVLYEGSIISHGTVQEIKNTKNEYIKKFIRYVGTK