Study : SA1145 (atomeDB@cbs.cnrs.fr)


Main Binding Site Prediction:


Binding Site Prediction

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Binding Site Number :C5_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 C5_S1
Complex: ACY_P_16(1KQ1) / Model_44(1KQ1/H) = [3.1] Download367.3852.00MIANENIQDKALENFKANQTEVTVFFLNGFQMKGVIEEYDKYVVSLNSQGKQHLIYKHAISTYTVETEGQASTESEE
Complex: ACY_O_15(1KQ1) / Model_39(1KQ1/W) = [3.1] Download322.2329.20MIANENIQDKALENFKANQTEVTVFFLNGFQMKGVIEEYDKYVVSLNSQGKQHLIYKHAISTYTVETEGQASTESEE
Complex: ACY_N_14(1KQ1) / Model_40(1KQ1/T) = [3.1] Download277.7952.00MIANENIQDKALENFKANQTEVTVFFLNGFQMKGVIEEYDKYVVSLNSQGKQHLIYKHAISTYTVETEGQASTESEE
Complex: NACID_R_15(3QSU) / Model_27(3QSU/H) = [3.2] Download--MIANENIQDKALENFKANQTEVTVFFLNGFQMKGVIEEYDKYVVSLNSQGKQHLIYKHAISTYTVETEGQASTESEE
Complex: NACID_P_16(3QSU) / Model_29(3QSU/F) = [3.2] Download--MIANENIQDKALENFKANQTEVTVFFLNGFQMKGVIEEYDKYVVSLNSQGKQHLIYKHAISTYTVETEGQASTESEE
Consensus
[pKd Mean = 3.14]
-322
(s=36)
44
(s=10)
MIANENIQDKALENFKANQTEVTVFFLNGFQMKGVIEEYDKYVVSLNSQGKQHLIYKHAISTYTVETEGQASTESEE