Study : bsu03630 (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] : 2 (5 maxi)

Complexes [Theoretical pKd]FileVolume (A3)
(FPocket)
Hydrophobicity
Score(FPocket)
Contacts Ligand/Receptor [<4A] in Site C2_S1
Complex: FMN_A_5(1SBZ) / Model_36(1SBZ/A) = [6.8] Download1231.4012.60MKAEFKRKGGGKVKLVVGMTGATGAIFGVRLLQWLKAAGVETHLVVSPWANVTIKHETGYTLQEVEQLATYTYSHKDQAAAISSGSFDTDGMIVAPCSMKSLASIRTGMADNLLTRAADVMLKERKKLVLLTRETPLNQIHLENMLALTKMGTIILPPMPAFYNRPRSLEEMVDHIVFRTLDQFGIRLPEAKRWNGIEKQKGGA
Complex: FMN_A_5(1SBZ) / Model_1(1SBZ/A) = [6.8] Download1016.0712.60MKAEFKRKGGGKVKLVVGMTGATGAIFGVRLLQWLKAAGVETHLVVSPWANVTIKHETGYTLQEVEQLATYTYSHKDQAAAISSGSFDTDGMIVAPCSMKSLASIRTGMADNLLTRAADVMLKERKKLVLLTRETPLNQIHLENMLALTKMGTIILPPMPAFYNRPRSLEEMVDHIVFRTLDQFGIRLPEAKRWNGIEKQKGGA
Consensus
[pKd Mean = 6.80]
-1123
(s=107)
12
(s=0)
MKAEFKRKGGGKVKLVVGMTGATGAIFGVRLLQWLKAAGVETHLVVSPWANVTIKHETGYTLQEVEQLATYTYSHKDQAAAISSGSFDTDGMIVAPCSMKSLASIRTGMADNLLTRAADVMLKERKKLVLLTRETPLNQIHLENMLALTKMGTIILPPMPAFYNRPRSLEEMVDHIVFRTLDQFGIRLPEAKRWNGIEKQKGGA