Study : jhp_1325 (atomeDB@cbs.cnrs.fr)


Main Binding Site Prediction:


Binding Site Prediction

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Binding Site Number :C4_S1
Best Complexes choosen after comparative docking [pKd > 3] : 5 (5 maxi)

Complexes [Theoretical pKd]FileVolume (A3)
(FPocket)		Hydrophobicity
Score(FPocket)		Contacts Ligand/Receptor [<4A] in Site C4_S1
Complex: SF4_A_3(3RFA) / Model_1(3RFA/A) = [3.3] Download231.2729.58MKASIYDFTLDELSQLLKPSFRAKQLYLWLYAKYKTSFKDMQNNFSKDFIAYLEQEFTLRTIEIAHVRESVDGSKKYLFKSLRDNHTFEAVLLKMKDKKIDEETNAVLEGEKYTVCVSCQIGCQVGCSFCFTQKGGFVRDLKASEIIQQALLIKEANNLPIEKALNIVFMGMGEPLNNLDEVCKAVEIFNTGMQISPKRITISTSGVADKIPILAGKNLGVQLAISLHAVDDKTRSSLMPLNKKYNIECVLNEVRKWPLEQRKRVMFEYLLIKDLNDSLDCAKKLLKLLNGIKSKVNLILFNPHEGSKFERPSLESARMFADFLNAKGLLCTIRESKALDIEAACGQLREKKLQQKI
Complex: SF4_A_6(4PL1) / Model_9(4PL1/A) = [3.6] Download288.3919.57MKASIYDFTLDELSQLLKPSFRAKQLYLWLYAKYKTSFKDMQNNFSKDFIAYLEQEFTLRTIEIAHVRESVDGSKKYLFKSLRDNHTFEAVLLKMKDKKIDEETNAVLEGEKYTVCVSCQIGCQVGCSFCFTQKGGFVRDLKASEIIQQALLIKEANNLPIEKALNIVFMGMGEPLNNLDEVCKAVEIFNTGMQISPKRITISTSGVADKIPILAGKNLGVQLAISLHAVDDKTRSSLMPLNKKYNIECVLNEVRKWPLEQRKRVMFEYLLIKDLNDSLDCAKKLLKLLNGIKSKVNLILFNPHEGSKFERPSLESARMFADFLNAKGLLCTIRESKALDIEAACGQLREKKLQQKI
Complex: SAM_A_4(3RFA) / Model_1(3RFA/A) = [6.6] Download738.4418.97MKASIYDFTLDELSQLLKPSFRAKQLYLWLYAKYKTSFKDMQNNFSKDFIAYLEQEFTLRTIEIAHVRESVDGSKKYLFKSLRDNHTFEAVLLKMKDKKIDEETNAVLEGEKYTVCVSCQIGCQVGCSFCFTQKGGFVRDLKASEIIQQALLIKEANNLPIEKALNIVFMGMGEPLNNLDEVCKAVEIFNTGMQISPKRITISTSGVADKIPILAGKNLGVQLAISLHAVDDKTRSSLMPLNKKYNIECVLNEVRKWPLEQRKRVMFEYLLIKDLNDSLDCAKKLLKLLNGIKSKVNLILFNPHEGSKFERPSLESARMFADFLNAKGLLCTIRESKALDIEAACGQLREKKLQQKI
Complex: SAM_A_4(3RFA) / Model_10(3RFA/A) = [6.6] Download828.0118.97MKASIYDFTLDELSQLLKPSFRAKQLYLWLYAKYKTSFKDMQNNFSKDFIAYLEQEFTLRTIEIAHVRESVDGSKKYLFKSLRDNHTFEAVLLKMKDKKIDEETNAVLEGEKYTVCVSCQIGCQVGCSFCFTQKGGFVRDLKASEIIQQALLIKEANNLPIEKALNIVFMGMGEPLNNLDEVCKAVEIFNTGMQISPKRITISTSGVADKIPILAGKNLGVQLAISLHAVDDKTRSSLMPLNKKYNIECVLNEVRKWPLEQRKRVMFEYLLIKDLNDSLDCAKKLLKLLNGIKSKVNLILFNPHEGSKFERPSLESARMFADFLNAKGLLCTIRESKALDIEAACGQLREKKLQQKI
Complex: SAM_A_4(3RFA) / Model_22(3RFA/A) = [6.6] Download812.4318.97MKASIYDFTLDELSQLLKPSFRAKQLYLWLYAKYKTSFKDMQNNFSKDFIAYLEQEFTLRTIEIAHVRESVDGSKKYLFKSLRDNHTFEAVLLKMKDKKIDEETNAVLEGEKYTVCVSCQIGCQVGCSFCFTQKGGFVRDLKASEIIQQALLIKEANNLPIEKALNIVFMGMGEPLNNLDEVCKAVEIFNTGMQISPKRITISTSGVADKIPILAGKNLGVQLAISLHAVDDKTRSSLMPLNKKYNIECVLNEVRKWPLEQRKRVMFEYLLIKDLNDSLDCAKKLLKLLNGIKSKVNLILFNPHEGSKFERPSLESARMFADFLNAKGLLCTIRESKALDIEAACGQLREKKLQQKI
Consensus
[pKd Mean = 5.34]		-579
(s=263)		21
(s=4)		MKASIYDFTLDELSQLLKPSFRAKQLYLWLYAKYKTSFKDMQNNFSKDFIAYLEQEFTLRTIEIAHVRESVDGSKKYLFKSLRDNHTFEAVLLKMKDKKIDEETNAVLEGEKYTVCVSCQIGCQVGCSFCFTQKGGFVRDLKASEIIQQALLIKEANNLPIEKALNIVFMGMGEPLNNLDEVCKAVEIFNTGMQISPKRITISTSGVADKIPILAGKNLGVQLAISLHAVDDKTRSSLMPLNKKYNIECVLNEVRKWPLEQRKRVMFEYLLIKDLNDSLDCAKKLLKLLNGIKSKVNLILFNPHEGSKFERPSLESARMFADFLNAKGLLCTIRESKALDIEAACGQLREKKLQQKI