Study : PF00186_DYR_STAAW (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: TOP_A_3(3TQ8) / Model_60(3TQ8/A) = [4.2] Download1256.4235.59MTLSILVAHDLQRVIGFENQLPWHLPNDLKHVKKLSTGHTLVMGRKTFESIGKPLPNRRNVVLTSDTSFNVVGVDVIHSIEDIYQLPGHVFIFGGQILFEEMIDKVDDMYITVIEGKFRGDTFFPPYTFEDWEVASSVEGKLDEKNTIPHTFLHLIRKK
Complex: TOP_X_3(3FRB) / Model_22(3FRB/X) = [4.7] Download1018.2137.35MTLSILVAHDLQRVIGFENQLPWHLPNDLKHVKKLSTGHTLVMGRKTFESIGKPLPNRRNVVLTSDTSFNVVGVDVIHSIEDIYQLPGHVFIFGGQILFEEMIDKVDDMYITVIEGKFRGDTFFPPYTFEDWEVASSVEGKLDEKNTIPHTFLHLIRKK
Complex: TOP_C_15(2W9S) / Model_47(2W9S/C) = [4.7] Download1279.5332.70MTLSILVAHDLQRVIGFENQLPWHLPNDLKHVKKLSTGHTLVMGRKTFESIGKPLPNRRNVVLTSDTSFNVVGVDVIHSIEDIYQLPGHVFIFGGQILFEEMIDKVDDMYITVIEGKFRGDTFFPPYTFEDWEVASSVEGKLDEKNTIPHTFLHLIRKK
Complex: TOP_F_21(2W9S) / Model_44(2W9S/F) = [4.7] Download1219.3932.95MTLSILVAHDLQRVIGFENQLPWHLPNDLKHVKKLSTGHTLVMGRKTFESIGKPLPNRRNVVLTSDTSFNVVGVDVIHSIEDIYQLPGHVFIFGGQILFEEMIDKVDDMYITVIEGKFRGDTFFPPYTFEDWEVASSVEGKLDEKNTIPHTFLHLIRKK
Complex: TOP_A_9(2W9S) / Model_49(2W9S/A) = [4.8] Download1199.3133.82MTLSILVAHDLQRVIGFENQLPWHLPNDLKHVKKLSTGHTLVMGRKTFESIGKPLPNRRNVVLTSDTSFNVVGVDVIHSIEDIYQLPGHVFIFGGQILFEEMIDKVDDMYITVIEGKFRGDTFFPPYTFEDWEVASSVEGKLDEKNTIPHTFLHLIRKK
Consensus
[pKd Mean = 4.62]
-1194
(s=92)
34
(s=1)
MTLSILVAHDLQRVIGFENQLPWHLPNDLKHVKKLSTGHTLVMGRKTFESIGKPLPNRRNVVLTSDTSFNVVGVDVIHSIEDIYQLPGHVFIFGGQILFEEMIDKVDDMYITVIEGKFRGDTFFPPYTFEDWEVASSVEGKLDEKNTIPHTFLHLIRKK