Study : bsu01120 (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: GDP_A_3(4MYT) / Model_6(4MYT/A) = [5.4] Download1029.772.37MAREFSLEKTRNIGIMAHIDAGKTTTTERILFYTGRIHKIGETHEGASQMDWMEQEQERGITITSAATTAQWKGYRVNIIDTPGHVDFTVEVERSLRVLDGAVAVLDAQSGVEPQTETVWRQATTYGVPRIVFVNKMDKIGADFLYSVGTLRDRLQANAHAIQLPIGAEDNFEGIIDLVENVAYFYEDDLGTRSDAKEIPEEYKEQAEELRNSLIEAVCELDEELMDKYLEGEEITIDELKAGIRKGTLNVEFYPVLVGSAFKNKGVQLVLDAVLDYLPAPTDVAAIKGTRPDTNEEIERHSSDEEPFSALAFKVMTDPYVGKLTFFRVYSGTLDSGSYVKNSTKGKRERVGRILQMHANSREEISTVYAGDIAAAVGLKDTTTGDTLCDEKDLVILESMEFPEPVIDVAIEPKSKADQDKMGIALAKLAEEDPTFRTQTNPETGQTIISGMGELHLDIIVDRMKREFKVEANVGAPQVAYRETFRTGAKVEGKFVRQSGGRGQFGHVWIEFEPNEEGAGFEFENAIVGGVVPREYIPAVQAGLEDALENGVLAGFPLIDIKAKLFDGSYHDVDSNEMAFKVAASMALKNAVSKCNPVLLEPIMKVEVVIPEEYMGDIMGDITSRRGRVEGMEARGNAQVVRAMVPLAEMFGYATALRSNTQGRGTFTMHMDHYEEVPKSVAEEIIKKNKGE
Complex: GDP_A_3(4MYU) / Model_8(4MYU/A) = [6.2] Download885.755.28MAREFSLEKTRNIGIMAHIDAGKTTTTERILFYTGRIHKIGETHEGASQMDWMEQEQERGITITSAATTAQWKGYRVNIIDTPGHVDFTVEVERSLRVLDGAVAVLDAQSGVEPQTETVWRQATTYGVPRIVFVNKMDKIGADFLYSVGTLRDRLQANAHAIQLPIGAEDNFEGIIDLVENVAYFYEDDLGTRSDAKEIPEEYKEQAEELRNSLIEAVCELDEELMDKYLEGEEITIDELKAGIRKGTLNVEFYPVLVGSAFKNKGVQLVLDAVLDYLPAPTDVAAIKGTRPDTNEEIERHSSDEEPFSALAFKVMTDPYVGKLTFFRVYSGTLDSGSYVKNSTKGKRERVGRILQMHANSREEISTVYAGDIAAAVGLKDTTTGDTLCDEKDLVILESMEFPEPVIDVAIEPKSKADQDKMGIALAKLAEEDPTFRTQTNPETGQTIISGMGELHLDIIVDRMKREFKVEANVGAPQVAYRETFRTGAKVEGKFVRQSGGRGQFGHVWIEFEPNEEGAGFEFENAIVGGVVPREYIPAVQAGLEDALENGVLAGFPLIDIKAKLFDGSYHDVDSNEMAFKVAASMALKNAVSKCNPVLLEPIMKVEVVIPEEYMGDIMGDITSRRGRVEGMEARGNAQVVRAMVPLAEMFGYATALRSNTQGRGTFTMHMDHYEEVPKSVAEEIIKKNKGE
Complex: GDP_A_3(4M1K) / Model_130(4M1K/A) = [6.3] Download971.272.88MAREFSLEKTRNIGIMAHIDAGKTTTTERILFYTGRIHKIGETHEGASQMDWMEQEQERGITITSAATTAQWKGYRVNIIDTPGHVDFTVEVERSLRVLDGAVAVLDAQSGVEPQTETVWRQATTYGVPRIVFVNKMDKIGADFLYSVGTLRDRLQANAHAIQLPIGAEDNFEGIIDLVENVAYFYEDDLGTRSDAKEIPEEYKEQAEELRNSLIEAVCELDEELMDKYLEGEEITIDELKAGIRKGTLNVEFYPVLVGSAFKNKGVQLVLDAVLDYLPAPTDVAAIKGTRPDTNEEIERHSSDEEPFSALAFKVMTDPYVGKLTFFRVYSGTLDSGSYVKNSTKGKRERVGRILQMHANSREEISTVYAGDIAAAVGLKDTTTGDTLCDEKDLVILESMEFPEPVIDVAIEPKSKADQDKMGIALAKLAEEDPTFRTQTNPETGQTIISGMGELHLDIIVDRMKREFKVEANVGAPQVAYRETFRTGAKVEGKFVRQSGGRGQFGHVWIEFEPNEEGAGFEFENAIVGGVVPREYIPAVQAGLEDALENGVLAGFPLIDIKAKLFDGSYHDVDSNEMAFKVAASMALKNAVSKCNPVLLEPIMKVEVVIPEEYMGDIMGDITSRRGRVEGMEARGNAQVVRAMVPLAEMFGYATALRSNTQGRGTFTMHMDHYEEVPKSVAEEIIKKNKGE
Complex: GDP_A_3(4M1K) / Model_7(4M1K/A) = [6.3] Download705.702.88MAREFSLEKTRNIGIMAHIDAGKTTTTERILFYTGRIHKIGETHEGASQMDWMEQEQERGITITSAATTAQWKGYRVNIIDTPGHVDFTVEVERSLRVLDGAVAVLDAQSGVEPQTETVWRQATTYGVPRIVFVNKMDKIGADFLYSVGTLRDRLQANAHAIQLPIGAEDNFEGIIDLVENVAYFYEDDLGTRSDAKEIPEEYKEQAEELRNSLIEAVCELDEELMDKYLEGEEITIDELKAGIRKGTLNVEFYPVLVGSAFKNKGVQLVLDAVLDYLPAPTDVAAIKGTRPDTNEEIERHSSDEEPFSALAFKVMTDPYVGKLTFFRVYSGTLDSGSYVKNSTKGKRERVGRILQMHANSREEISTVYAGDIAAAVGLKDTTTGDTLCDEKDLVILESMEFPEPVIDVAIEPKSKADQDKMGIALAKLAEEDPTFRTQTNPETGQTIISGMGELHLDIIVDRMKREFKVEANVGAPQVAYRETFRTGAKVEGKFVRQSGGRGQFGHVWIEFEPNEEGAGFEFENAIVGGVVPREYIPAVQAGLEDALENGVLAGFPLIDIKAKLFDGSYHDVDSNEMAFKVAASMALKNAVSKCNPVLLEPIMKVEVVIPEEYMGDIMGDITSRRGRVEGMEARGNAQVVRAMVPLAEMFGYATALRSNTQGRGTFTMHMDHYEEVPKSVAEEIIKKNKGE
Complex: GDP_A_2(2BM0) / Model_12(2BM0/A) = [6.5] Download1061.9911.41MAREFSLEKTRNIGIMAHIDAGKTTTTERILFYTGRIHKIGETHEGASQMDWMEQEQERGITITSAATTAQWKGYRVNIIDTPGHVDFTVEVERSLRVLDGAVAVLDAQSGVEPQTETVWRQATTYGVPRIVFVNKMDKIGADFLYSVGTLRDRLQANAHAIQLPIGAEDNFEGIIDLVENVAYFYEDDLGTRSDAKEIPEEYKEQAEELRNSLIEAVCELDEELMDKYLEGEEITIDELKAGIRKGTLNVEFYPVLVGSAFKNKGVQLVLDAVLDYLPAPTDVAAIKGTRPDTNEEIERHSSDEEPFSALAFKVMTDPYVGKLTFFRVYSGTLDSGSYVKNSTKGKRERVGRILQMHANSREEISTVYAGDIAAAVGLKDTTTGDTLCDEKDLVILESMEFPEPVIDVAIEPKSKADQDKMGIALAKLAEEDPTFRTQTNPETGQTIISGMGELHLDIIVDRMKREFKVEANVGAPQVAYRETFRTGAKVEGKFVRQSGGRGQFGHVWIEFEPNEEGAGFEFENAIVGGVVPREYIPAVQAGLEDALENGVLAGFPLIDIKAKLFDGSYHDVDSNEMAFKVAASMALKNAVSKCNPVLLEPIMKVEVVIPEEYMGDIMGDITSRRGRVEGMEARGNAQVVRAMVPLAEMFGYATALRSNTQGRGTFTMHMDHYEEVPKSVAEEIIKKNKGE
Consensus
[pKd Mean = 6.14]		-930
(s=127)		4
(s=3)		MAREFSLEKTRNIGIMAHIDAGKTTTTERILFYTGRIHKIGETHEGASQMDWMEQEQERGITITSAATTAQWKGYRVNIIDTPGHVDFTVEVERSLRVLDGAVAVLDAQSGVEPQTETVWRQATTYGVPRIVFVNKMDKIGADFLYSVGTLRDRLQANAHAIQLPIGAEDNFEGIIDLVENVAYFYEDDLGTRSDAKEIPEEYKEQAEELRNSLIEAVCELDEELMDKYLEGEEITIDELKAGIRKGTLNVEFYPVLVGSAFKNKGVQLVLDAVLDYLPAPTDVAAIKGTRPDTNEEIERHSSDEEPFSALAFKVMTDPYVGKLTFFRVYSGTLDSGSYVKNSTKGKRERVGRILQMHANSREEISTVYAGDIAAAVGLKDTTTGDTLCDEKDLVILESMEFPEPVIDVAIEPKSKADQDKMGIALAKLAEEDPTFRTQTNPETGQTIISGMGELHLDIIVDRMKREFKVEANVGAPQVAYRETFRTGAKVEGKFVRQSGGRGQFGHVWIEFEPNEEGAGFEFENAIVGGVVPREYIPAVQAGLEDALENGVLAGFPLIDIKAKLFDGSYHDVDSNEMAFKVAASMALKNAVSKCNPVLLEPIMKVEVVIPEEYMGDIMGDITSRRGRVEGMEARGNAQVVRAMVPLAEMFGYATALRSNTQGRGTFTMHMDHYEEVPKSVAEEIIKKNKGE