Study : bsu20070 (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_4(1RLJ) / Model_7(1RLJ/A) = [9.9] Download912.5316.63MTYESKTGNVKRFVKALQQEFDVEAIEITDDTIINQEFIHITYTIGFGEVPERTLSFINKNKNKIRGVAVSGNKVWGDNYGLAGDKLSAKFHTPLLLKFELSGTKQDLQKIIQEVQLIDKHNTKLDQAQ
Complex: FMN_D_4(1RLJ) / Model_16(1RLJ/A) = [9.9] Download768.1116.63MTYESKTGNVKRFVKALQQEFDVEAIEITDDTIINQEFIHITYTIGFGEVPERTLSFINKNKNKIRGVAVSGNKVWGDNYGLAGDKLSAKFHTPLLLKFELSGTKQDLQKIIQEVQLIDKHNTKLDQAQ
Complex: FMN_A_2(2X2P) / Model_4(2X2P/A) = [10.5] Download919.2118.25MTYESKTGNVKRFVKALQQEFDVEAIEITDDTIINQEFIHITYTIGFGEVPERTLSFINKNKNKIRGVAVSGNKVWGDNYGLAGDKLSAKFHTPLLLKFELSGTKQDLQKIIQEVQLIDKHNTKLDQAQ
Complex: FMN_A_2(2XOD) / Model_15(2XOD/A) = [10.5] Download935.5118.25MTYESKTGNVKRFVKALQQEFDVEAIEITDDTIINQEFIHITYTIGFGEVPERTLSFINKNKNKIRGVAVSGNKVWGDNYGLAGDKLSAKFHTPLLLKFELSGTKQDLQKIIQEVQLIDKHNTKLDQAQ
Complex: FMN_A_2(2XOD) / Model_1(2XOD/A) = [10.5] Download1049.1518.25MTYESKTGNVKRFVKALQQEFDVEAIEITDDTIINQEFIHITYTIGFGEVPERTLSFINKNKNKIRGVAVSGNKVWGDNYGLAGDKLSAKFHTPLLLKFELSGTKQDLQKIIQEVQLIDKHNTKLDQAQ
Consensus
[pKd Mean = 10.26]
-916
(s=89)
17
(s=0)
MTYESKTGNVKRFVKALQQEFDVEAIEITDDTIINQEFIHITYTIGFGEVPERTLSFINKNKNKIRGVAVSGNKVWGDNYGLAGDKLSAKFHTPLLLKFELSGTKQDLQKIIQEVQLIDKHNTKLDQAQ