Study : gbs0454 (atomeDB@cbs.cnrs.fr)


Main Binding Site Prediction:


Binding Site Prediction

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Binding Site Number :C3_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 C3_S1
Complex: FMN_D_10(3N39) / Model_23(3N39/D) = [9.8] Download652.7620.32MDSTVKVVYFSSKSNNTHRFVQKLAWSNQRIPSDGSNILVTEDYILIVPTYAGGGDDTKGAVPKQVVQFLNVRQNREHCQGVISSGNTNFGDTYAIAGPIIARKLNVPLLHQFELLGTQEDVTRVKELLCQFTRKDK
Complex: FMN_D_12(3N3B) / Model_21(3N3B/D) = [9.9] Download884.8018.76MDSTVKVVYFSSKSNNTHRFVQKLAWSNQRIPSDGSNILVTEDYILIVPTYAGGGDDTKGAVPKQVVQFLNVRQNREHCQGVISSGNTNFGDTYAIAGPIIARKLNVPLLHQFELLGTQEDVTRVKELLCQFTRKDK
Complex: FMN_C_8(3N3B) / Model_3(3N3B/C) = [10.1] Download993.4817.43MDSTVKVVYFSSKSNNTHRFVQKLAWSNQRIPSDGSNILVTEDYILIVPTYAGGGDDTKGAVPKQVVQFLNVRQNREHCQGVISSGNTNFGDTYAIAGPIIARKLNVPLLHQFELLGTQEDVTRVKELLCQFTRKDK
Complex: FMN_C_7(3N39) / Model_1(3N39/C) = [10.2] Download708.7220.32MDSTVKVVYFSSKSNNTHRFVQKLAWSNQRIPSDGSNILVTEDYILIVPTYAGGGDDTKGAVPKQVVQFLNVRQNREHCQGVISSGNTNFGDTYAIAGPIIARKLNVPLLHQFELLGTQEDVTRVKELLCQFTRKDK
Complex: FMN_D_10(3N3A) / Model_22(3N3A/D) = [10.3] Download794.8417.90MDSTVKVVYFSSKSNNTHRFVQKLAWSNQRIPSDGSNILVTEDYILIVPTYAGGGDDTKGAVPKQVVQFLNVRQNREHCQGVISSGNTNFGDTYAIAGPIIARKLNVPLLHQFELLGTQEDVTRVKELLCQFTRKDK
Consensus
[pKd Mean = 10.06]
-806
(s=122)
18
(s=1)
MDSTVKVVYFSSKSNNTHRFVQKLAWSNQRIPSDGSNILVTEDYILIVPTYAGGGDDTKGAVPKQVVQFLNVRQNREHCQGVISSGNTNFGDTYAIAGPIIARKLNVPLLHQFELLGTQEDVTRVKELLCQFTRKDK