Study : bsu06520 (atomeDB@cbs.cnrs.fr)


Main Binding Site Prediction:


Binding Site Prediction

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Binding Site Number :C12_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 C12_S1
Complex: 203_B_5(2IU0) / Model_32(2IU0/B) = [3.7] Download484.9413.79MTIKRALISVSDKTNLVPFVKELTELGVEVISTGGTKKLLQENGVDVIGISEVTGFPEIMDGRLKTLHPNIHGGLLAVRGNEEHMAQINEHGIQPIDLVVVNLYPFKETISKEDVTYEEAIENIDIGGPGMLRAASKNHQDVTVIVDPADYSPVLNQIKEEGSVSLQKKRELAAKVFRHTAAYDALIADYLTNVVGEKEPEQFTVTFEKKQSLRYGENPHQEATFYQTALPVKGSIAQAEQLHGKELSYNNIKDADAAVQIVREFTEPAAVAVKHMNPCGVGTGKTIAEAFDRAFEADKTSIFGGIIALNREVDKATAEALHNIFLEIIIAPSFSQEALDVLTAKKNLRLLTLDVSAAVQKEKQLTSVQGGLLIQDLDMHGFDDAEISIPTKREPNEQEWEDLKLAWKVVKHVKSNAIVLAKDNMTVGVGAGQMNRVGSAKIAIEQAGEKAKGSALGSDAYFPMPDTVEEAAKAGVTAIIQPGGSIRDEDSIKKADEYGIAMVFTGIRHFKH
Complex: 203_B_5(2IU3) / Model_31(2IU3/B) = [3.8] Download567.1913.64MTIKRALISVSDKTNLVPFVKELTELGVEVISTGGTKKLLQENGVDVIGISEVTGFPEIMDGRLKTLHPNIHGGLLAVRGNEEHMAQINEHGIQPIDLVVVNLYPFKETISKEDVTYEEAIENIDIGGPGMLRAASKNHQDVTVIVDPADYSPVLNQIKEEGSVSLQKKRELAAKVFRHTAAYDALIADYLTNVVGEKEPEQFTVTFEKKQSLRYGENPHQEATFYQTALPVKGSIAQAEQLHGKELSYNNIKDADAAVQIVREFTEPAAVAVKHMNPCGVGTGKTIAEAFDRAFEADKTSIFGGIIALNREVDKATAEALHNIFLEIIIAPSFSQEALDVLTAKKNLRLLTLDVSAAVQKEKQLTSVQGGLLIQDLDMHGFDDAEISIPTKREPNEQEWEDLKLAWKVVKHVKSNAIVLAKDNMTVGVGAGQMNRVGSAKIAIEQAGEKAKGSALGSDAYFPMPDTVEEAAKAGVTAIIQPGGSIRDEDSIKKADEYGIAMVFTGIRHFKH
Complex: JLN_A_7(4A1O) / Model_2(4A1O/A) = [5.9] Download467.0713.43MTIKRALISVSDKTNLVPFVKELTELGVEVISTGGTKKLLQENGVDVIGISEVTGFPEIMDGRLKTLHPNIHGGLLAVRGNEEHMAQINEHGIQPIDLVVVNLYPFKETISKEDVTYEEAIENIDIGGPGMLRAASKNHQDVTVIVDPADYSPVLNQIKEEGSVSLQKKRELAAKVFRHTAAYDALIADYLTNVVGEKEPEQFTVTFEKKQSLRYGENPHQEATFYQTALPVKGSIAQAEQLHGKELSYNNIKDADAAVQIVREFTEPAAVAVKHMNPCGVGTGKTIAEAFDRAFEADKTSIFGGIIALNREVDKATAEALHNIFLEIIIAPSFSQEALDVLTAKKNLRLLTLDVSAAVQKEKQLTSVQGGLLIQDLDMHGFDDAEISIPTKREPNEQEWEDLKLAWKVVKHVKSNAIVLAKDNMTVGVGAGQMNRVGSAKIAIEQAGEKAKGSALGSDAYFPMPDTVEEAAKAGVTAIIQPGGSIRDEDSIKKADEYGIAMVFTGIRHFKH
Complex: JLN_A_5(3ZZM) / Model_1(3ZZM/A) = [6.6] Download454.1417.00MTIKRALISVSDKTNLVPFVKELTELGVEVISTGGTKKLLQENGVDVIGISEVTGFPEIMDGRLKTLHPNIHGGLLAVRGNEEHMAQINEHGIQPIDLVVVNLYPFKETISKEDVTYEEAIENIDIGGPGMLRAASKNHQDVTVIVDPADYSPVLNQIKEEGSVSLQKKRELAAKVFRHTAAYDALIADYLTNVVGEKEPEQFTVTFEKKQSLRYGENPHQEATFYQTALPVKGSIAQAEQLHGKELSYNNIKDADAAVQIVREFTEPAAVAVKHMNPCGVGTGKTIAEAFDRAFEADKTSIFGGIIALNREVDKATAEALHNIFLEIIIAPSFSQEALDVLTAKKNLRLLTLDVSAAVQKEKQLTSVQGGLLIQDLDMHGFDDAEISIPTKREPNEQEWEDLKLAWKVVKHVKSNAIVLAKDNMTVGVGAGQMNRVGSAKIAIEQAGEKAKGSALGSDAYFPMPDTVEEAAKAGVTAIIQPGGSIRDEDSIKKADEYGIAMVFTGIRHFKH
Complex: JLN_A_5(3ZZM) / Model_40(3ZZM/A) = [6.6] Download478.9713.43MTIKRALISVSDKTNLVPFVKELTELGVEVISTGGTKKLLQENGVDVIGISEVTGFPEIMDGRLKTLHPNIHGGLLAVRGNEEHMAQINEHGIQPIDLVVVNLYPFKETISKEDVTYEEAIENIDIGGPGMLRAASKNHQDVTVIVDPADYSPVLNQIKEEGSVSLQKKRELAAKVFRHTAAYDALIADYLTNVVGEKEPEQFTVTFEKKQSLRYGENPHQEATFYQTALPVKGSIAQAEQLHGKELSYNNIKDADAAVQIVREFTEPAAVAVKHMNPCGVGTGKTIAEAFDRAFEADKTSIFGGIIALNREVDKATAEALHNIFLEIIIAPSFSQEALDVLTAKKNLRLLTLDVSAAVQKEKQLTSVQGGLLIQDLDMHGFDDAEISIPTKREPNEQEWEDLKLAWKVVKHVKSNAIVLAKDNMTVGVGAGQMNRVGSAKIAIEQAGEKAKGSALGSDAYFPMPDTVEEAAKAGVTAIIQPGGSIRDEDSIKKADEYGIAMVFTGIRHFKH
Consensus
[pKd Mean = 5.32]		-490
(s=39)		14
(s=1)		MTIKRALISVSDKTNLVPFVKELTELGVEVISTGGTKKLLQENGVDVIGISEVTGFPEIMDGRLKTLHPNIHGGLLAVRGNEEHMAQINEHGIQPIDLVVVNLYPFKETISKEDVTYEEAIENIDIGGPGMLRAASKNHQDVTVIVDPADYSPVLNQIKEEGSVSLQKKRELAAKVFRHTAAYDALIADYLTNVVGEKEPEQFTVTFEKKQSLRYGENPHQEATFYQTALPVKGSIAQAEQLHGKELSYNNIKDADAAVQIVREFTEPAAVAVKHMNPCGVGTGKTIAEAFDRAFEADKTSIFGGIIALNREVDKATAEALHNIFLEIIIAPSFSQEALDVLTAKKNLRLLTLDVSAAVQKEKQLTSVQGGLLIQDLDMHGFDDAEISIPTKREPNEQEWEDLKLAWKVVKHVKSNAIVLAKDNMTVGVGAGQMNRVGSAKIAIEQAGEKAKGSALGSDAYFPMPDTVEEAAKAGVTAIIQPGGSIRDEDSIKKADEYGIAMVFTGIRHFKH