Study : SA2365 (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: NAP_A_3(4QED) / Model_10(4QED/A) = [10.7] Download1770.9714.05MTKIVLITGGNKGLGYASAEALKALGYKVYIGSRNDVRGQQASQKLGVHYVQLDVTSDYSVKNAYNMIAEKEGRLDILINNAGISGQFSAPSKLTPRDVEEVYQTNVFGIVRMMNTFVPLLEKSEQPVVVNVSSGLGSFGMVTNPETAESKVNSLAYCSSKSAVTMLTLQYAKGLPNMQINAADPGATNTDLVGDFSNNSKHVSEGIKPIIQLATIGADGPTGTFINGDGEMPW
Complex: NAP_A_3(4QEC) / Model_9(4QEC/A) = [10.8] Download1604.4714.05MTKIVLITGGNKGLGYASAEALKALGYKVYIGSRNDVRGQQASQKLGVHYVQLDVTSDYSVKNAYNMIAEKEGRLDILINNAGISGQFSAPSKLTPRDVEEVYQTNVFGIVRMMNTFVPLLEKSEQPVVVNVSSGLGSFGMVTNPETAESKVNSLAYCSSKSAVTMLTLQYAKGLPNMQINAADPGATNTDLVGDFSNNSKHVSEGIKPIIQLATIGADGPTGTFINGDGEMPW
Complex: NAP_B_6(4QED) / Model_23(4QED/B) = [10.9] Download1448.4214.05MTKIVLITGGNKGLGYASAEALKALGYKVYIGSRNDVRGQQASQKLGVHYVQLDVTSDYSVKNAYNMIAEKEGRLDILINNAGISGQFSAPSKLTPRDVEEVYQTNVFGIVRMMNTFVPLLEKSEQPVVVNVSSGLGSFGMVTNPETAESKVNSLAYCSSKSAVTMLTLQYAKGLPNMQINAADPGATNTDLVGDFSNNSKHVSEGIKPIIQLATIGADGPTGTFINGDGEMPW
Complex: NAP_B_7(4QEC) / Model_22(4QEC/B) = [11.3] Download1478.5114.05MTKIVLITGGNKGLGYASAEALKALGYKVYIGSRNDVRGQQASQKLGVHYVQLDVTSDYSVKNAYNMIAEKEGRLDILINNAGISGQFSAPSKLTPRDVEEVYQTNVFGIVRMMNTFVPLLEKSEQPVVVNVSSGLGSFGMVTNPETAESKVNSLAYCSSKSAVTMLTLQYAKGLPNMQINAADPGATNTDLVGDFSNNSKHVSEGIKPIIQLATIGADGPTGTFINGDGEMPW
Complex: NAP_A_10(3BHJ) / Model_7(3BHJ/A) = [11.7] Download1203.4915.40MTKIVLITGGNKGLGYASAEALKALGYKVYIGSRNDVRGQQASQKLGVHYVQLDVTSDYSVKNAYNMIAEKEGRLDILINNAGISGQFSAPSKLTPRDVEEVYQTNVFGIVRMMNTFVPLLEKSEQPVVVNVSSGLGSFGMVTNPETAESKVNSLAYCSSKSAVTMLTLQYAKGLPNMQINAADPGATNTDLVGDFSNNSKHVSEGIKPIIQLATIGADGPTGTFINGDGEMPW
Consensus
[pKd Mean = 11.08]
-1501
(s=187)
14
(s=0)
MTKIVLITGGNKGLGYASAEALKALGYKVYIGSRNDVRGQQASQKLGVHYVQLDVTSDYSVKNAYNMIAEKEGRLDILINNAGISGQFSAPSKLTPRDVEEVYQTNVFGIVRMMNTFVPLLEKSEQPVVVNVSSGLGSFGMVTNPETAESKVNSLAYCSSKSAVTMLTLQYAKGLPNMQINAADPGATNTDLVGDFSNNSKHVSEGIKPIIQLATIGADGPTGTFINGDGEMPW