Study : bsu21680 (atomeDB@cbs.cnrs.fr)


Main Binding Site Prediction:


Binding Site Prediction

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Binding Site Number :C2_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 C2_S1
Complex: RSM_A_4(3HCI) / Model_11(3HCI/A) = [3.3] Download985.58-2.95MAYNKEEKIKSLNRMQYEVTQNNGTEPPFQNEYWDHKEEGLYVDIVSGKPLFTSKDKFDSQCGWPSFTKPIEEEVEEKLDTSHGMIRTEVRSRTADSHLGHVFNDGPGPNGLRYCINSAALRFVPKHKLKEEGYESYLHLFNK
Complex: ACY_A_5(3CEZ) / Model_7(3CEZ/A) = [3.8] Download192.91-6.91MAYNKEEKIKSLNRMQYEVTQNNGTEPPFQNEYWDHKEEGLYVDIVSGKPLFTSKDKFDSQCGWPSFTKPIEEEVEEKLDTSHGMIRTEVRSRTADSHLGHVFNDGPGPNGLRYCINSAALRFVPKHKLKEEGYESYLHLFNK
Complex: P6G_A_6(3HCH) / Model_6(3HCH/A) = [3.9] Download764.6525.54MAYNKEEKIKSLNRMQYEVTQNNGTEPPFQNEYWDHKEEGLYVDIVSGKPLFTSKDKFDSQCGWPSFTKPIEEEVEEKLDTSHGMIRTEVRSRTADSHLGHVFNDGPGPNGLRYCINSAALRFVPKHKLKEEGYESYLHLFNK
Complex: CHAIN_F_6(3E0M) / Model_22(3E0M/B) = [3.9] Download--MAYNKEEKIKSLNRMQYEVTQNNGTEPPFQNEYWDHKEEGLYVDIVSGKPLFTSKDKFDSQCGWPSFTKPIEEEVEEKLDTSHGMIRTEVRSRTADSHLGHVFNDGPGPNGLRYCINSAALRFVPKHKLKEEGYESYLHLFNK
Complex: CHAIN_G_7(3E0M) / Model_21(3E0M/C) = [4.8] Download--MAYNKEEKIKSLNRMQYEVTQNNGTEPPFQNEYWDHKEEGLYVDIVSGKPLFTSKDKFDSQCGWPSFTKPIEEEVEEKLDTSHGMIRTEVRSRTADSHLGHVFNDGPGPNGLRYCINSAALRFVPKHKLKEEGYESYLHLFNK
Consensus
[pKd Mean = 3.94]
-647
(s=334)
5
(s=14)
MAYNKEEKIKSLNRMQYEVTQNNGTEPPFQNEYWDHKEEGLYVDIVSGKPLFTSKDKFDSQCGWPSFTKPIEEEVEEKLDTSHGMIRTEVRSRTADSHLGHVFNDGPGPNGLRYCINSAALRFVPKHKLKEEGYESYLHLFNK