Study : PA2760 (atomeDB@cbs.cnrs.fr)


Main Binding Site Prediction:


Binding Site Prediction

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Binding Site Number :C6_S1
Best Complexes choosen after comparative docking [pKd > 3] : 3 (5 maxi)

Complexes [Theoretical pKd]FileVolume (A3)
(FPocket)
Hydrophobicity
Score(FPocket)
Contacts Ligand/Receptor [<4A] in Site C6_S1
Complex: C8E_A_7(3SY7) / Model_43(3SY7/A) = [3.3] Download676.3547.93MLKKRICLLALGIATASQAMANDQEAAKGFVEDSHLDLFFRNGYISRDYKHGRQDKAEWGQAATATFTSGFTQGTVGVGVDAFGLYAVRLDGGKGRSGAAGIDFFKQGDSGSAADDLSKGGAAVKFRISNTVLKYGDQMPSLPVLSYDNSRLLPESYSGTLITSKEIEGLELNAGRFTAESRKSAEGRDSGGLKSINVFGGKYAFTDHFNASLYASDVEDVLKKQYINLNYTIPLQADQSLNFDFNGYRTKLDSDFADQNFNGNRDNKIWSLAASYTIDAHTFMIAHQRNTGDTGYNYGWYQNAGGIGDGGTTIWLANSYWSDFNAEDERSWQVSYALDFAKYGVPGLTYRVAYVRGDNIKTAETSNGKEREIFNQVQYVVQSGPAKDLTLRLRSSFLRVSNDARSYNDDGNEIRAFVEYPFSVF
Complex: C8E_B_22(2QTK) / Model_25(2QTK/B) = [4.0] Download489.0639.83MLKKRICLLALGIATASQAMANDQEAAKGFVEDSHLDLFFRNGYISRDYKHGRQDKAEWGQAATATFTSGFTQGTVGVGVDAFGLYAVRLDGGKGRSGAAGIDFFKQGDSGSAADDLSKGGAAVKFRISNTVLKYGDQMPSLPVLSYDNSRLLPESYSGTLITSKEIEGLELNAGRFTAESRKSAEGRDSGGLKSINVFGGKYAFTDHFNASLYASDVEDVLKKQYINLNYTIPLQADQSLNFDFNGYRTKLDSDFADQNFNGNRDNKIWSLAASYTIDAHTFMIAHQRNTGDTGYNYGWYQNAGGIGDGGTTIWLANSYWSDFNAEDERSWQVSYALDFAKYGVPGLTYRVAYVRGDNIKTAETSNGKEREIFNQVQYVVQSGPAKDLTLRLRSSFLRVSNDARSYNDDGNEIRAFVEYPFSVF
Complex: C8E_A_3(2Y0H) / Model_48(2Y0H/A) = [4.0] Download188.3268.50MLKKRICLLALGIATASQAMANDQEAAKGFVEDSHLDLFFRNGYISRDYKHGRQDKAEWGQAATATFTSGFTQGTVGVGVDAFGLYAVRLDGGKGRSGAAGIDFFKQGDSGSAADDLSKGGAAVKFRISNTVLKYGDQMPSLPVLSYDNSRLLPESYSGTLITSKEIEGLELNAGRFTAESRKSAEGRDSGGLKSINVFGGKYAFTDHFNASLYASDVEDVLKKQYINLNYTIPLQADQSLNFDFNGYRTKLDSDFADQNFNGNRDNKIWSLAASYTIDAHTFMIAHQRNTGDTGYNYGWYQNAGGIGDGGTTIWLANSYWSDFNAEDERSWQVSYALDFAKYGVPGLTYRVAYVRGDNIKTAETSNGKEREIFNQVQYVVQSGPAKDLTLRLRSSFLRVSNDARSYNDDGNEIRAFVEYPFSVF
Consensus
[pKd Mean = 3.77]
-451
(s=201)
52
(s=12)
MLKKRICLLALGIATASQAMANDQEAAKGFVEDSHLDLFFRNGYISRDYKHGRQDKAEWGQAATATFTSGFTQGTVGVGVDAFGLYAVRLDGGKGRSGAAGIDFFKQGDSGSAADDLSKGGAAVKFRISNTVLKYGDQMPSLPVLSYDNSRLLPESYSGTLITSKEIEGLELNAGRFTAESRKSAEGRDSGGLKSINVFGGKYAFTDHFNASLYASDVEDVLKKQYINLNYTIPLQADQSLNFDFNGYRTKLDSDFADQNFNGNRDNKIWSLAASYTIDAHTFMIAHQRNTGDTGYNYGWYQNAGGIGDGGTTIWLANSYWSDFNAEDERSWQVSYALDFAKYGVPGLTYRVAYVRGDNIKTAETSNGKEREIFNQVQYVVQSGPAKDLTLRLRSSFLRVSNDARSYNDDGNEIRAFVEYPFSVF