Study : bsu13030 (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: CIT_A_8(3BJK) / Model_60(3BJK/A) = [4.5] Download453.8321.50METPETRFCKESKVVKTSRVFPLDTNNHNTLFGGKLMSYIDDIASISAARHCRRETVTASMDSVDFLKPIGQKDSVCLESYVTWVGTSSMEVFVKVIKEHLMTGERELAATSFLTFVALDSNGKPVPVPRVVPETEEEIMLHNTAVQRANERKNRKRHSQALANALGTDKPW
Complex: COA_A_2(5EGJ) / Model_51(5EGJ/A) = [4.8] Download1347.0318.30METPETRFCKESKVVKTSRVFPLDTNNHNTLFGGKLMSYIDDIASISAARHCRRETVTASMDSVDFLKPIGQKDSVCLESYVTWVGTSSMEVFVKVIKEHLMTGERELAATSFLTFVALDSNGKPVPVPRVVPETEEEIMLHNTAVQRANERKNRKRHSQALANALGTDKPW
Complex: COA_A_2(5EGJ) / Model_4(5EGJ/A) = [4.8] Download997.6818.30METPETRFCKESKVVKTSRVFPLDTNNHNTLFGGKLMSYIDDIASISAARHCRRETVTASMDSVDFLKPIGQKDSVCLESYVTWVGTSSMEVFVKVIKEHLMTGERELAATSFLTFVALDSNGKPVPVPRVVPETEEEIMLHNTAVQRANERKNRKRHSQALANALGTDKPW
Complex: COA_C_11(4IEN) / Model_27(4IEN/C) = [5.1] Download1673.7131.42METPETRFCKESKVVKTSRVFPLDTNNHNTLFGGKLMSYIDDIASISAARHCRRETVTASMDSVDFLKPIGQKDSVCLESYVTWVGTSSMEVFVKVIKEHLMTGERELAATSFLTFVALDSNGKPVPVPRVVPETEEEIMLHNTAVQRANERKNRKRHSQALANALGTDKPW
Complex: COA_A_8(1Y7U) / Model_1(1Y7U/A) = [5.3] Download1703.5320.74METPETRFCKESKVVKTSRVFPLDTNNHNTLFGGKLMSYIDDIASISAARHCRRETVTASMDSVDFLKPIGQKDSVCLESYVTWVGTSSMEVFVKVIKEHLMTGERELAATSFLTFVALDSNGKPVPVPRVVPETEEEIMLHNTAVQRANERKNRKRHSQALANALGTDKPW
Consensus
[pKd Mean = 4.90]
-1235
(s=467)
22
(s=4)
METPETRFCKESKVVKTSRVFPLDTNNHNTLFGGKLMSYIDDIASISAARHCRRETVTASMDSVDFLKPIGQKDSVCLESYVTWVGTSSMEVFVKVIKEHLMTGERELAATSFLTFVALDSNGKPVPVPRVVPETEEEIMLHNTAVQRANERKNRKRHSQALANALGTDKPW