Study : bsu36600 (atomeDB@cbs.cnrs.fr)


Main Binding Site Prediction:


Binding Site Prediction

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Binding Site Number :C4_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 C4_S1
Complex: DCZ_A_5(2Z6Q) / Model_26(2Z6Q/A) = [3.5] Download588.5011.30MRGGNRLGAGRKVIPESEKKKRKSVYITDKLYTRIMDTDIENCNNFSQKCMALIELAMENLNKNNQEHSVKRNNILMVRDTKSTYNKTNNNFEKQNRGIKLTFIDLFAGIGGIRLGFEDKYTKCVFSSEWDKYAAQTYEANYGEKPHGDITKINENDIPDQDVLLAGFPCQPFSNIGKREGFAHERRNIIFDVLRILKKKQPKMFLLENVKGLLTNDNGNTFRVILDNLKSLGYSVFYEVMDAQNFGLPQRRERIVIVGFHPDLGINDFSFPKGNPDNKVPINAILEHNPTGYSISKRLQESYLFKKDDGKPQIVDFRCTYQVNTLVASYHKIQRLTGTFVKDGETGLRLFSELELKRLMGFPVDFKVPVSRTQMYRQFGNSVAVPMIKAVAGAMKERLLLAEMQVLKK
Complex: SAM_B_2(1HMY) / Model_17(1HMY/A) = [3.7] Download1226.084.35MRGGNRLGAGRKVIPESEKKKRKSVYITDKLYTRIMDTDIENCNNFSQKCMALIELAMENLNKNNQEHSVKRNNILMVRDTKSTYNKTNNNFEKQNRGIKLTFIDLFAGIGGIRLGFEDKYTKCVFSSEWDKYAAQTYEANYGEKPHGDITKINENDIPDQDVLLAGFPCQPFSNIGKREGFAHERRNIIFDVLRILKKKQPKMFLLENVKGLLTNDNGNTFRVILDNLKSLGYSVFYEVMDAQNFGLPQRRERIVIVGFHPDLGINDFSFPKGNPDNKVPINAILEHNPTGYSISKRLQESYLFKKDDGKPQIVDFRCTYQVNTLVASYHKIQRLTGTFVKDGETGLRLFSELELKRLMGFPVDFKVPVSRTQMYRQFGNSVAVPMIKAVAGAMKERLLLAEMQVLKK
Complex: SAH_A_5(1SVU) / Model_23(1SVU/A) = [7.0] Download1000.7711.07MRGGNRLGAGRKVIPESEKKKRKSVYITDKLYTRIMDTDIENCNNFSQKCMALIELAMENLNKNNQEHSVKRNNILMVRDTKSTYNKTNNNFEKQNRGIKLTFIDLFAGIGGIRLGFEDKYTKCVFSSEWDKYAAQTYEANYGEKPHGDITKINENDIPDQDVLLAGFPCQPFSNIGKREGFAHERRNIIFDVLRILKKKQPKMFLLENVKGLLTNDNGNTFRVILDNLKSLGYSVFYEVMDAQNFGLPQRRERIVIVGFHPDLGINDFSFPKGNPDNKVPINAILEHNPTGYSISKRLQESYLFKKDDGKPQIVDFRCTYQVNTLVASYHKIQRLTGTFVKDGETGLRLFSELELKRLMGFPVDFKVPVSRTQMYRQFGNSVAVPMIKAVAGAMKERLLLAEMQVLKK
Complex: SAH_D_4(8MHT) / Model_7(8MHT/A) = [7.4] Download871.7010.77MRGGNRLGAGRKVIPESEKKKRKSVYITDKLYTRIMDTDIENCNNFSQKCMALIELAMENLNKNNQEHSVKRNNILMVRDTKSTYNKTNNNFEKQNRGIKLTFIDLFAGIGGIRLGFEDKYTKCVFSSEWDKYAAQTYEANYGEKPHGDITKINENDIPDQDVLLAGFPCQPFSNIGKREGFAHERRNIIFDVLRILKKKQPKMFLLENVKGLLTNDNGNTFRVILDNLKSLGYSVFYEVMDAQNFGLPQRRERIVIVGFHPDLGINDFSFPKGNPDNKVPINAILEHNPTGYSISKRLQESYLFKKDDGKPQIVDFRCTYQVNTLVASYHKIQRLTGTFVKDGETGLRLFSELELKRLMGFPVDFKVPVSRTQMYRQFGNSVAVPMIKAVAGAMKERLLLAEMQVLKK
Complex: SAH_D_4(3MHT) / Model_2(3MHT/A) = [7.4] Download794.466.63MRGGNRLGAGRKVIPESEKKKRKSVYITDKLYTRIMDTDIENCNNFSQKCMALIELAMENLNKNNQEHSVKRNNILMVRDTKSTYNKTNNNFEKQNRGIKLTFIDLFAGIGGIRLGFEDKYTKCVFSSEWDKYAAQTYEANYGEKPHGDITKINENDIPDQDVLLAGFPCQPFSNIGKREGFAHERRNIIFDVLRILKKKQPKMFLLENVKGLLTNDNGNTFRVILDNLKSLGYSVFYEVMDAQNFGLPQRRERIVIVGFHPDLGINDFSFPKGNPDNKVPINAILEHNPTGYSISKRLQESYLFKKDDGKPQIVDFRCTYQVNTLVASYHKIQRLTGTFVKDGETGLRLFSELELKRLMGFPVDFKVPVSRTQMYRQFGNSVAVPMIKAVAGAMKERLLLAEMQVLKK
Consensus
[pKd Mean = 5.80]
-896
(s=212)
8
(s=2)
MRGGNRLGAGRKVIPESEKKKRKSVYITDKLYTRIMDTDIENCNNFSQKCMALIELAMENLNKNNQEHSVKRNNILMVRDTKSTYNKTNNNFEKQNRGIKLTFIDLFAGIGGIRLGFEDKYTKCVFSSEWDKYAAQTYEANYGEKPHGDITKINENDIPDQDVLLAGFPCQPFSNIGKREGFAHERRNIIFDVLRILKKKQPKMFLLENVKGLLTNDNGNTFRVILDNLKSLGYSVFYEVMDAQNFGLPQRRERIVIVGFHPDLGINDFSFPKGNPDNKVPINAILEHNPTGYSISKRLQESYLFKKDDGKPQIVDFRCTYQVNTLVASYHKIQRLTGTFVKDGETGLRLFSELELKRLMGFPVDFKVPVSRTQMYRQFGNSVAVPMIKAVAGAMKERLLLAEMQVLKK