Study : N8ZRE3_9GAMM (atomeDB@cbs.cnrs.fr)


Main Binding Site Prediction:


Binding Site Prediction

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Binding Site Number :C4_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 C4_S1
Complex: KAN_A_5(1L8T) / Model_5(1L8T/A) = [3.7] Download1111.626.31MINDMKISLPQSLKSFIGNQPLQKDKVGQSPSDVYSFTKNNEKYYLKTTELIYAQTTYSIIREAKILDWLDGKLNVPELVLMDTDHENEYMISKAVPAKPLQDFTGKSDQFFIDIYTDALAQLQSISIKNCPFISNKKFRLAEAEFFIENGLLDELDDDEKDLKLWSSYQNFAEFLDDLKQQNFQEEYVFSHGDLTDSNVFLSHDAQIYFLDVGRAGIADRFVDIAFIERSLREDCSEDAALQFLNHLAEDDSFKRNYFLKLDELN
Complex: NMY_A_2(2B0Q) / Model_6(2B0Q/A) = [3.8] Download1386.077.74MINDMKISLPQSLKSFIGNQPLQKDKVGQSPSDVYSFTKNNEKYYLKTTELIYAQTTYSIIREAKILDWLDGKLNVPELVLMDTDHENEYMISKAVPAKPLQDFTGKSDQFFIDIYTDALAQLQSISIKNCPFISNKKFRLAEAEFFIENGLLDELDDDEKDLKLWSSYQNFAEFLDDLKQQNFQEEYVFSHGDLTDSNVFLSHDAQIYFLDVGRAGIADRFVDIAFIERSLREDCSEDAALQFLNHLAEDDSFKRNYFLKLDELN
Complex: KAN_A_5(1L8T) / Model_82(1L8T/A) = [4.3] Download1384.184.44MINDMKISLPQSLKSFIGNQPLQKDKVGQSPSDVYSFTKNNEKYYLKTTELIYAQTTYSIIREAKILDWLDGKLNVPELVLMDTDHENEYMISKAVPAKPLQDFTGKSDQFFIDIYTDALAQLQSISIKNCPFISNKKFRLAEAEFFIENGLLDELDDDEKDLKLWSSYQNFAEFLDDLKQQNFQEEYVFSHGDLTDSNVFLSHDAQIYFLDVGRAGIADRFVDIAFIERSLREDCSEDAALQFLNHLAEDDSFKRNYFLKLDELN
Complex: ADP_A_5(2BKK) / Model_8(2BKK/A) = [5.1] Download944.7323.42MINDMKISLPQSLKSFIGNQPLQKDKVGQSPSDVYSFTKNNEKYYLKTTELIYAQTTYSIIREAKILDWLDGKLNVPELVLMDTDHENEYMISKAVPAKPLQDFTGKSDQFFIDIYTDALAQLQSISIKNCPFISNKKFRLAEAEFFIENGLLDELDDDEKDLKLWSSYQNFAEFLDDLKQQNFQEEYVFSHGDLTDSNVFLSHDAQIYFLDVGRAGIADRFVDIAFIERSLREDCSEDAALQFLNHLAEDDSFKRNYFLKLDELN
Complex: ADP_A_7(1J7L) / Model_54(1J7L/A) = [5.5] Download963.1434.55MINDMKISLPQSLKSFIGNQPLQKDKVGQSPSDVYSFTKNNEKYYLKTTELIYAQTTYSIIREAKILDWLDGKLNVPELVLMDTDHENEYMISKAVPAKPLQDFTGKSDQFFIDIYTDALAQLQSISIKNCPFISNKKFRLAEAEFFIENGLLDELDDDEKDLKLWSSYQNFAEFLDDLKQQNFQEEYVFSHGDLTDSNVFLSHDAQIYFLDVGRAGIADRFVDIAFIERSLREDCSEDAALQFLNHLAEDDSFKRNYFLKLDELN
Consensus
[pKd Mean = 4.48]
-1157
(s=194)
15
(s=11)
MINDMKISLPQSLKSFIGNQPLQKDKVGQSPSDVYSFTKNNEKYYLKTTELIYAQTTYSIIREAKILDWLDGKLNVPELVLMDTDHENEYMISKAVPAKPLQDFTGKSDQFFIDIYTDALAQLQSISIKNCPFISNKKFRLAEAEFFIENGLLDELDDDEKDLKLWSSYQNFAEFLDDLKQQNFQEEYVFSHGDLTDSNVFLSHDAQIYFLDVGRAGIADRFVDIAFIERSLREDCSEDAALQFLNHLAEDDSFKRNYFLKLDELN