Study : jhp_1289 (atomeDB@cbs.cnrs.fr)


Main Binding Site Prediction:


Binding Site Prediction

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Binding Site Number :C2_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 C2_S1
Complex: EDO_A_7(4E6U) / Model_5(4E6U/A) = [3.1] Download427.7541.33MSKIAKTAIISPKAEIGKGVEIGEFCVIGDGVKLDEGVKLHNNVTLQGHTFIGKNTEIFPFAVLGTQPQDLKYKGEYSELMVGEDNLIREFCMINPGTEGGIKKTLIGDKNLLMAYVHVAHDCVIGSHCILANGVTLAGHIEIGDYVNIGGLTAIHQFVRIAKGCMIAGKSALGKDVPPYCTVEGNRAFIRGLNRHRMRQLLESKDIDFIHALYKRLFRPIPSLRESAKLELEEHANNPFVKEICSFILESSRGVAYKSSEYSSEEKQEE
Complex: EDO_A_9(4E6U) / Model_5(4E6U/A) = [3.2] Download143.7318.00MSKIAKTAIISPKAEIGKGVEIGEFCVIGDGVKLDEGVKLHNNVTLQGHTFIGKNTEIFPFAVLGTQPQDLKYKGEYSELMVGEDNLIREFCMINPGTEGGIKKTLIGDKNLLMAYVHVAHDCVIGSHCILANGVTLAGHIEIGDYVNIGGLTAIHQFVRIAKGCMIAGKSALGKDVPPYCTVEGNRAFIRGLNRHRMRQLLESKDIDFIHALYKRLFRPIPSLRESAKLELEEHANNPFVKEICSFILESSRGVAYKSSEYSSEEKQEE
Complex: SOG_D_4(1J2Z) / Model_1(1J2Z/A) = [3.5] Download1086.4810.06MSKIAKTAIISPKAEIGKGVEIGEFCVIGDGVKLDEGVKLHNNVTLQGHTFIGKNTEIFPFAVLGTQPQDLKYKGEYSELMVGEDNLIREFCMINPGTEGGIKKTLIGDKNLLMAYVHVAHDCVIGSHCILANGVTLAGHIEIGDYVNIGGLTAIHQFVRIAKGCMIAGKSALGKDVPPYCTVEGNRAFIRGLNRHRMRQLLESKDIDFIHALYKRLFRPIPSLRESAKLELEEHANNPFVKEICSFILESSRGVAYKSSEYSSEEKQEE
Complex: SOG_D_4(1J2Z) / Model_111(1J2Z/A) = [3.5] Download1138.0610.06MSKIAKTAIISPKAEIGKGVEIGEFCVIGDGVKLDEGVKLHNNVTLQGHTFIGKNTEIFPFAVLGTQPQDLKYKGEYSELMVGEDNLIREFCMINPGTEGGIKKTLIGDKNLLMAYVHVAHDCVIGSHCILANGVTLAGHIEIGDYVNIGGLTAIHQFVRIAKGCMIAGKSALGKDVPPYCTVEGNRAFIRGLNRHRMRQLLESKDIDFIHALYKRLFRPIPSLRESAKLELEEHANNPFVKEICSFILESSRGVAYKSSEYSSEEKQEE
Complex: UD1_A_3(4R37) / Model_38(4R37/A) = [3.6] Download1038.8120.08MSKIAKTAIISPKAEIGKGVEIGEFCVIGDGVKLDEGVKLHNNVTLQGHTFIGKNTEIFPFAVLGTQPQDLKYKGEYSELMVGEDNLIREFCMINPGTEGGIKKTLIGDKNLLMAYVHVAHDCVIGSHCILANGVTLAGHIEIGDYVNIGGLTAIHQFVRIAKGCMIAGKSALGKDVPPYCTVEGNRAFIRGLNRHRMRQLLESKDIDFIHALYKRLFRPIPSLRESAKLELEEHANNPFVKEICSFILESSRGVAYKSSEYSSEEKQEE
Consensus
[pKd Mean = 3.38]
-766
(s=404)
19
(s=11)
MSKIAKTAIISPKAEIGKGVEIGEFCVIGDGVKLDEGVKLHNNVTLQGHTFIGKNTEIFPFAVLGTQPQDLKYKGEYSELMVGEDNLIREFCMINPGTEGGIKKTLIGDKNLLMAYVHVAHDCVIGSHCILANGVTLAGHIEIGDYVNIGGLTAIHQFVRIAKGCMIAGKSALGKDVPPYCTVEGNRAFIRGLNRHRMRQLLESKDIDFIHALYKRLFRPIPSLRESAKLELEEHANNPFVKEICSFILESSRGVAYKSSEYSSEEKQEE