Study : B7CE77_9FIRM (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: AMP_A_3(4R78) / Model_57(4R78/A) = [4.0] Download1083.8818.86MNLEKWIEEKFNTTKYTLEKTDKGISNHNYILTINDTKYMIRVPKKNHESLGLQHEHEKKILTLVSDLDVPTVLFDEKEGIKVTHYIEDVKTFNECKDKDKFARCANLMKSLHTKKAPLFIFNPFGKIEFYKSQIKECIVSFPNEENFLEALKKEYKPNTLCHNDFVQGNILYSDTKDYLIDYEYAAKNDYRFDIASFFSENNIHYIDQRDQFYQTYFDGEIDPMIDVQVQAFERMEDILWGYWANMLYEQRGEQIYFDIAKDKEKHYRG
Complex: AMP_A_3(4R78) / Model_2(4R78/A) = [4.3] Download902.3219.69MNLEKWIEEKFNTTKYTLEKTDKGISNHNYILTINDTKYMIRVPKKNHESLGLQHEHEKKILTLVSDLDVPTVLFDEKEGIKVTHYIEDVKTFNECKDKDKFARCANLMKSLHTKKAPLFIFNPFGKIEFYKSQIKECIVSFPNEENFLEALKKEYKPNTLCHNDFVQGNILYSDTKDYLIDYEYAAKNDYRFDIASFFSENNIHYIDQRDQFYQTYFDGEIDPMIDVQVQAFERMEDILWGYWANMLYEQRGEQIYFDIAKDKEKHYRG
Complex: ADP_A_6(2OLC) / Model_37(2OLC/A) = [5.4] Download833.702.42MNLEKWIEEKFNTTKYTLEKTDKGISNHNYILTINDTKYMIRVPKKNHESLGLQHEHEKKILTLVSDLDVPTVLFDEKEGIKVTHYIEDVKTFNECKDKDKFARCANLMKSLHTKKAPLFIFNPFGKIEFYKSQIKECIVSFPNEENFLEALKKEYKPNTLCHNDFVQGNILYSDTKDYLIDYEYAAKNDYRFDIASFFSENNIHYIDQRDQFYQTYFDGEIDPMIDVQVQAFERMEDILWGYWANMLYEQRGEQIYFDIAKDKEKHYRG
Complex: ADP_B_9(3MES) / Model_66(3MES/B) = [5.4] Download855.316.00MNLEKWIEEKFNTTKYTLEKTDKGISNHNYILTINDTKYMIRVPKKNHESLGLQHEHEKKILTLVSDLDVPTVLFDEKEGIKVTHYIEDVKTFNECKDKDKFARCANLMKSLHTKKAPLFIFNPFGKIEFYKSQIKECIVSFPNEENFLEALKKEYKPNTLCHNDFVQGNILYSDTKDYLIDYEYAAKNDYRFDIASFFSENNIHYIDQRDQFYQTYFDGEIDPMIDVQVQAFERMEDILWGYWANMLYEQRGEQIYFDIAKDKEKHYRG
Complex: ADP_A_3(3MES) / Model_65(3MES/A) = [6.1] Download970.8712.04MNLEKWIEEKFNTTKYTLEKTDKGISNHNYILTINDTKYMIRVPKKNHESLGLQHEHEKKILTLVSDLDVPTVLFDEKEGIKVTHYIEDVKTFNECKDKDKFARCANLMKSLHTKKAPLFIFNPFGKIEFYKSQIKECIVSFPNEENFLEALKKEYKPNTLCHNDFVQGNILYSDTKDYLIDYEYAAKNDYRFDIASFFSENNIHYIDQRDQFYQTYFDGEIDPMIDVQVQAFERMEDILWGYWANMLYEQRGEQIYFDIAKDKEKHYRG
Consensus
[pKd Mean = 5.04]
-929
(s=90)
11
(s=6)
MNLEKWIEEKFNTTKYTLEKTDKGISNHNYILTINDTKYMIRVPKKNHESLGLQHEHEKKILTLVSDLDVPTVLFDEKEGIKVTHYIEDVKTFNECKDKDKFARCANLMKSLHTKKAPLFIFNPFGKIEFYKSQIKECIVSFPNEENFLEALKKEYKPNTLCHNDFVQGNILYSDTKDYLIDYEYAAKNDYRFDIASFFSENNIHYIDQRDQFYQTYFDGEIDPMIDVQVQAFERMEDILWGYWANMLYEQRGEQIYFDIAKDKEKHYRG