Study : bsu01450 (atomeDB@cbs.cnrs.fr)


Main Binding Site Prediction:


Binding Site Prediction

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Binding Site Number :C1_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 C1_S1
Complex: AGS_B_6(3C4J) / Model_39(3C4J/B) = [3.2] Download540.860.50MNQNQLISVEDIVFRYRKDAERRALDGVSLQVYEGEWLAIVGHNGSGKSTLARALNGLILPESGDIEVAGIQLTEESVWEVRKKIGMVFQNPDNQFVGTTVRDDVAFGLENNGVPREEMIERVDWAVKQVNMQDFLDQEPHHLSGGQKQRVAIAGVIAARPDIIILDEATSMLDPIGREEVLETVRHLKEQGMATVISITHDLNEAAKADRIIVMNGGKKYAEGPPEEIFKLNKELVRIGLDLPFSFQLSQLLRENGLALEENHLTQEGLVKELWTLQSKM
Complex: ADP_A_5(2Q0H) / Model_42(2Q0H/A) = [3.3] Download305.30-4.77MNQNQLISVEDIVFRYRKDAERRALDGVSLQVYEGEWLAIVGHNGSGKSTLARALNGLILPESGDIEVAGIQLTEESVWEVRKKIGMVFQNPDNQFVGTTVRDDVAFGLENNGVPREEMIERVDWAVKQVNMQDFLDQEPHHLSGGQKQRVAIAGVIAARPDIIILDEATSMLDPIGREEVLETVRHLKEQGMATVISITHDLNEAAKADRIIVMNGGKKYAEGPPEEIFKLNKELVRIGLDLPFSFQLSQLLRENGLALEENHLTQEGLVKELWTLQSKM
Complex: ADP_B_6(2OLJ) / Model_51(2OLJ/B) = [3.5] Download627.85-5.14MNQNQLISVEDIVFRYRKDAERRALDGVSLQVYEGEWLAIVGHNGSGKSTLARALNGLILPESGDIEVAGIQLTEESVWEVRKKIGMVFQNPDNQFVGTTVRDDVAFGLENNGVPREEMIERVDWAVKQVNMQDFLDQEPHHLSGGQKQRVAIAGVIAARPDIIILDEATSMLDPIGREEVLETVRHLKEQGMATVISITHDLNEAAKADRIIVMNGGKKYAEGPPEEIFKLNKELVRIGLDLPFSFQLSQLLRENGLALEENHLTQEGLVKELWTLQSKM
Complex: AGS_B_4(4S0F) / Model_55(4S0F/B) = [3.6] Download1326.18-4.64MNQNQLISVEDIVFRYRKDAERRALDGVSLQVYEGEWLAIVGHNGSGKSTLARALNGLILPESGDIEVAGIQLTEESVWEVRKKIGMVFQNPDNQFVGTTVRDDVAFGLENNGVPREEMIERVDWAVKQVNMQDFLDQEPHHLSGGQKQRVAIAGVIAARPDIIILDEATSMLDPIGREEVLETVRHLKEQGMATVISITHDLNEAAKADRIIVMNGGKKYAEGPPEEIFKLNKELVRIGLDLPFSFQLSQLLRENGLALEENHLTQEGLVKELWTLQSKM
Complex: ANP_K_6(3C41) / Model_37(3C41/K) = [3.6] Download469.05-7.36MNQNQLISVEDIVFRYRKDAERRALDGVSLQVYEGEWLAIVGHNGSGKSTLARALNGLILPESGDIEVAGIQLTEESVWEVRKKIGMVFQNPDNQFVGTTVRDDVAFGLENNGVPREEMIERVDWAVKQVNMQDFLDQEPHHLSGGQKQRVAIAGVIAARPDIIILDEATSMLDPIGREEVLETVRHLKEQGMATVISITHDLNEAAKADRIIVMNGGKKYAEGPPEEIFKLNKELVRIGLDLPFSFQLSQLLRENGLALEENHLTQEGLVKELWTLQSKM
Consensus
[pKd Mean = 3.44]
-653
(s=352)
-4
(s=2)
MNQNQLISVEDIVFRYRKDAERRALDGVSLQVYEGEWLAIVGHNGSGKSTLARALNGLILPESGDIEVAGIQLTEESVWEVRKKIGMVFQNPDNQFVGTTVRDDVAFGLENNGVPREEMIERVDWAVKQVNMQDFLDQEPHHLSGGQKQRVAIAGVIAARPDIIILDEATSMLDPIGREEVLETVRHLKEQGMATVISITHDLNEAAKADRIIVMNGGKKYAEGPPEEIFKLNKELVRIGLDLPFSFQLSQLLRENGLALEENHLTQEGLVKELWTLQSKM