Study : bsu04340 (atomeDB@cbs.cnrs.fr)


Main Binding Site Prediction:


Binding Site Prediction

Download fasta file
Download text file


Binding Site Number :C7_S1
Best Complexes choosen after comparative docking [pKd > 3] : 4 (5 maxi)

Complexes [Theoretical pKd]FileVolume (A3)
(FPocket)		Hydrophobicity
Score(FPocket)		Contacts Ligand/Receptor [<4A] in Site C7_S1
Complex: TPP_B_7(1POW) / Model_21(1POW/B) = [5.5] Download607.1628.72MAHKTAGQAMTELLEQWGVDHVYGIPGDSINEFIEELRHERNQLKFIQTRHEEVAALAAAAEAKLTGKIGVCLSIAGPGAVHLLNGLYDAKADGAPVLAIAGQVSSGEVGRDYFQEIKLEQMFEDVAVFNREVHSAESLPDLLNQAIRTAYSKKGVAVLSVSDDLFAEKIKREPVYTSPVYIEGNLEPKKEQLVTCAQYINNAKKPIILAGQGMKKAKRELLEFADKAAAPIVVTLPAKGVVPDKHPHFLGNLGQIGTKPAYEAMEECDLLIMLGTSFPYRDYLPDDTPAIQLDSDPAKIGKRYPVTAGLVCDSALGLRELTEYIERKEDRRFLNACTEHMQHWWNEIEKDETEATTPLKPQQVVARLQEAAADDAVLSVDVGTVTVWMARHFKMNANQDFIVSSWLATMGCGLPGAIAASLSEPERQAIAVCGDGGFSMVMQDLPTAVKYKLPITVVILNNENLGMIEYEQQVKGNIDYVTKLQNVDYAAFAESCGAKGIKVTKAEELAPAFHEALHSDQPVVVDVMIGNEPPLPGKITYGQAKGFSKYMLKNFFENQKFEMPSLKKSLKRLF
Complex: TPP_B_9(1POX) / Model_22(1POX/B) = [5.7] Download742.9728.72MAHKTAGQAMTELLEQWGVDHVYGIPGDSINEFIEELRHERNQLKFIQTRHEEVAALAAAAEAKLTGKIGVCLSIAGPGAVHLLNGLYDAKADGAPVLAIAGQVSSGEVGRDYFQEIKLEQMFEDVAVFNREVHSAESLPDLLNQAIRTAYSKKGVAVLSVSDDLFAEKIKREPVYTSPVYIEGNLEPKKEQLVTCAQYINNAKKPIILAGQGMKKAKRELLEFADKAAAPIVVTLPAKGVVPDKHPHFLGNLGQIGTKPAYEAMEECDLLIMLGTSFPYRDYLPDDTPAIQLDSDPAKIGKRYPVTAGLVCDSALGLRELTEYIERKEDRRFLNACTEHMQHWWNEIEKDETEATTPLKPQQVVARLQEAAADDAVLSVDVGTVTVWMARHFKMNANQDFIVSSWLATMGCGLPGAIAASLSEPERQAIAVCGDGGFSMVMQDLPTAVKYKLPITVVILNNENLGMIEYEQQVKGNIDYVTKLQNVDYAAFAESCGAKGIKVTKAEELAPAFHEALHSDQPVVVDVMIGNEPPLPGKITYGQAKGFSKYMLKNFFENQKFEMPSLKKSLKRLF
Complex: TDP_B_7(3EY9) / Model_34(3EY9/B) = [6.5] Download1193.4627.00MAHKTAGQAMTELLEQWGVDHVYGIPGDSINEFIEELRHERNQLKFIQTRHEEVAALAAAAEAKLTGKIGVCLSIAGPGAVHLLNGLYDAKADGAPVLAIAGQVSSGEVGRDYFQEIKLEQMFEDVAVFNREVHSAESLPDLLNQAIRTAYSKKGVAVLSVSDDLFAEKIKREPVYTSPVYIEGNLEPKKEQLVTCAQYINNAKKPIILAGQGMKKAKRELLEFADKAAAPIVVTLPAKGVVPDKHPHFLGNLGQIGTKPAYEAMEECDLLIMLGTSFPYRDYLPDDTPAIQLDSDPAKIGKRYPVTAGLVCDSALGLRELTEYIERKEDRRFLNACTEHMQHWWNEIEKDETEATTPLKPQQVVARLQEAAADDAVLSVDVGTVTVWMARHFKMNANQDFIVSSWLATMGCGLPGAIAASLSEPERQAIAVCGDGGFSMVMQDLPTAVKYKLPITVVILNNENLGMIEYEQQVKGNIDYVTKLQNVDYAAFAESCGAKGIKVTKAEELAPAFHEALHSDQPVVVDVMIGNEPPLPGKITYGQAKGFSKYMLKNFFENQKFEMPSLKKSLKRLF
Complex: TDP_A_3(3EY9) / Model_12(3EY9/A) = [6.6] Download1248.4227.00MAHKTAGQAMTELLEQWGVDHVYGIPGDSINEFIEELRHERNQLKFIQTRHEEVAALAAAAEAKLTGKIGVCLSIAGPGAVHLLNGLYDAKADGAPVLAIAGQVSSGEVGRDYFQEIKLEQMFEDVAVFNREVHSAESLPDLLNQAIRTAYSKKGVAVLSVSDDLFAEKIKREPVYTSPVYIEGNLEPKKEQLVTCAQYINNAKKPIILAGQGMKKAKRELLEFADKAAAPIVVTLPAKGVVPDKHPHFLGNLGQIGTKPAYEAMEECDLLIMLGTSFPYRDYLPDDTPAIQLDSDPAKIGKRYPVTAGLVCDSALGLRELTEYIERKEDRRFLNACTEHMQHWWNEIEKDETEATTPLKPQQVVARLQEAAADDAVLSVDVGTVTVWMARHFKMNANQDFIVSSWLATMGCGLPGAIAASLSEPERQAIAVCGDGGFSMVMQDLPTAVKYKLPITVVILNNENLGMIEYEQQVKGNIDYVTKLQNVDYAAFAESCGAKGIKVTKAEELAPAFHEALHSDQPVVVDVMIGNEPPLPGKITYGQAKGFSKYMLKNFFENQKFEMPSLKKSLKRLF
Consensus
[pKd Mean = 6.07]		-948
(s=277)		27
(s=1)		MAHKTAGQAMTELLEQWGVDHVYGIPGDSINEFIEELRHERNQLKFIQTRHEEVAALAAAAEAKLTGKIGVCLSIAGPGAVHLLNGLYDAKADGAPVLAIAGQVSSGEVGRDYFQEIKLEQMFEDVAVFNREVHSAESLPDLLNQAIRTAYSKKGVAVLSVSDDLFAEKIKREPVYTSPVYIEGNLEPKKEQLVTCAQYINNAKKPIILAGQGMKKAKRELLEFADKAAAPIVVTLPAKGVVPDKHPHFLGNLGQIGTKPAYEAMEECDLLIMLGTSFPYRDYLPDDTPAIQLDSDPAKIGKRYPVTAGLVCDSALGLRELTEYIERKEDRRFLNACTEHMQHWWNEIEKDETEATTPLKPQQVVARLQEAAADDAVLSVDVGTVTVWMARHFKMNANQDFIVSSWLATMGCGLPGAIAASLSEPERQAIAVCGDGGFSMVMQDLPTAVKYKLPITVVILNNENLGMIEYEQQVKGNIDYVTKLQNVDYAAFAESCGAKGIKVTKAEELAPAFHEALHSDQPVVVDVMIGNEPPLPGKITYGQAKGFSKYMLKNFFENQKFEMPSLKKSLKRLF