Study : PA4861 (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: ADP_A_8(1G9X) / Model_2(1G9X/A) = [4.7] Download718.800.29MRTTPHLMLEPAFHPGLDTAGSGRDAIGLGAATSGRLDARHGTILSLEDINVSFDGFKALRDLTLYIGVGELRCIIGPNGAGKTTLMDVITGKTRPQSGTAYFGDTLDLTRMSEVQIAQAGIGRKFQKPTVFEALSVFENLELAQRADKSVWASLRARLDGTQRERIEEVLATIRLLESRQRPAGLLSHGQKQFLEIGMLLVQEPQLLLLDEPVAGMTDAETEFTAELFKSLARKHSLMVVEHDMGFVGSIADHVTVLHQGHVLAEGSLAEVQADEQVIEVYLGR
Complex: ADP_C_12(1G9X) / Model_21(1G9X/C) = [4.8] Download1033.4117.82MRTTPHLMLEPAFHPGLDTAGSGRDAIGLGAATSGRLDARHGTILSLEDINVSFDGFKALRDLTLYIGVGELRCIIGPNGAGKTTLMDVITGKTRPQSGTAYFGDTLDLTRMSEVQIAQAGIGRKFQKPTVFEALSVFENLELAQRADKSVWASLRARLDGTQRERIEEVLATIRLLESRQRPAGLLSHGQKQFLEIGMLLVQEPQLLLLDEPVAGMTDAETEFTAELFKSLARKHSLMVVEHDMGFVGSIADHVTVLHQGHVLAEGSLAEVQADEQVIEVYLGR
Complex: ADP_B_10(1G9X) / Model_22(1G9X/B) = [5.8] Download792.638.82MRTTPHLMLEPAFHPGLDTAGSGRDAIGLGAATSGRLDARHGTILSLEDINVSFDGFKALRDLTLYIGVGELRCIIGPNGAGKTTLMDVITGKTRPQSGTAYFGDTLDLTRMSEVQIAQAGIGRKFQKPTVFEALSVFENLELAQRADKSVWASLRARLDGTQRERIEEVLATIRLLESRQRPAGLLSHGQKQFLEIGMLLVQEPQLLLLDEPVAGMTDAETEFTAELFKSLARKHSLMVVEHDMGFVGSIADHVTVLHQGHVLAEGSLAEVQADEQVIEVYLGR
Complex: ADP_A_4(1G6H) / Model_1(1G6H/A) = [6.4] Download1006.7811.33MRTTPHLMLEPAFHPGLDTAGSGRDAIGLGAATSGRLDARHGTILSLEDINVSFDGFKALRDLTLYIGVGELRCIIGPNGAGKTTLMDVITGKTRPQSGTAYFGDTLDLTRMSEVQIAQAGIGRKFQKPTVFEALSVFENLELAQRADKSVWASLRARLDGTQRERIEEVLATIRLLESRQRPAGLLSHGQKQFLEIGMLLVQEPQLLLLDEPVAGMTDAETEFTAELFKSLARKHSLMVVEHDMGFVGSIADHVTVLHQGHVLAEGSLAEVQADEQVIEVYLGR
Complex: ADP_A_4(1G6H) / Model_46(1G6H/A) = [6.5] Download977.8211.33MRTTPHLMLEPAFHPGLDTAGSGRDAIGLGAATSGRLDARHGTILSLEDINVSFDGFKALRDLTLYIGVGELRCIIGPNGAGKTTLMDVITGKTRPQSGTAYFGDTLDLTRMSEVQIAQAGIGRKFQKPTVFEALSVFENLELAQRADKSVWASLRARLDGTQRERIEEVLATIRLLESRQRPAGLLSHGQKQFLEIGMLLVQEPQLLLLDEPVAGMTDAETEFTAELFKSLARKHSLMVVEHDMGFVGSIADHVTVLHQGHVLAEGSLAEVQADEQVIEVYLGR
Consensus
[pKd Mean = 5.64]
-905
(s=126)
9
(s=5)
MRTTPHLMLEPAFHPGLDTAGSGRDAIGLGAATSGRLDARHGTILSLEDINVSFDGFKALRDLTLYIGVGELRCIIGPNGAGKTTLMDVITGKTRPQSGTAYFGDTLDLTRMSEVQIAQAGIGRKFQKPTVFEALSVFENLELAQRADKSVWASLRARLDGTQRERIEEVLATIRLLESRQRPAGLLSHGQKQFLEIGMLLVQEPQLLLLDEPVAGMTDAETEFTAELFKSLARKHSLMVVEHDMGFVGSIADHVTVLHQGHVLAEGSLAEVQADEQVIEVYLGR