Study : bsu36370 (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: QUE_A_16(3CF8) / Model_11(3CF8/A) = [3.1] Download1010.5049.00MLDTQQIKEIIPHRYPFLLVDRITEVEEGKRAKGYKNVTANEEFFNGHFPQYPVMPGVLIVEALAQVGAVAMLIKEENRGRLAFFAGIDNCRFKKQVKPGDQLHLEVEIIRARGTIGRGKGVATVDGEVVCEVELTFALGE
Complex: 2BE_A_10(3DOY) / Model_14(3DOY/A) = [3.1] Download1048.4247.93MLDTQQIKEIIPHRYPFLLVDRITEVEEGKRAKGYKNVTANEEFFNGHFPQYPVMPGVLIVEALAQVGAVAMLIKEENRGRLAFFAGIDNCRFKKQVKPGDQLHLEVEIIRARGTIGRGKGVATVDGEVVCEVELTFALGE
Complex: 4BB_A_10(3DP3) / Model_19(3DP3/A) = [3.3] Download419.0954.07MLDTQQIKEIIPHRYPFLLVDRITEVEEGKRAKGYKNVTANEEFFNGHFPQYPVMPGVLIVEALAQVGAVAMLIKEENRGRLAFFAGIDNCRFKKQVKPGDQLHLEVEIIRARGTIGRGKGVATVDGEVVCEVELTFALGE
Complex: 4BE_C_15(3DP2) / Model_128(3DP2/D) = [3.4] Download614.6566.43MLDTQQIKEIIPHRYPFLLVDRITEVEEGKRAKGYKNVTANEEFFNGHFPQYPVMPGVLIVEALAQVGAVAMLIKEENRGRLAFFAGIDNCRFKKQVKPGDQLHLEVEIIRARGTIGRGKGVATVDGEVVCEVELTFALGE
Complex: BDE_C_22(2GLP) / Model_173(2GLP/D) = [3.8] Download486.5558.20MLDTQQIKEIIPHRYPFLLVDRITEVEEGKRAKGYKNVTANEEFFNGHFPQYPVMPGVLIVEALAQVGAVAMLIKEENRGRLAFFAGIDNCRFKKQVKPGDQLHLEVEIIRARGTIGRGKGVATVDGEVVCEVELTFALGE
Consensus
[pKd Mean = 3.34]
-715
(s=263)
55
(s=6)
MLDTQQIKEIIPHRYPFLLVDRITEVEEGKRAKGYKNVTANEEFFNGHFPQYPVMPGVLIVEALAQVGAVAMLIKEENRGRLAFFAGIDNCRFKKQVKPGDQLHLEVEIIRARGTIGRGKGVATVDGEVVCEVELTFALGE