Study : 233_tI_CITSI (atomeDB@cbs.cnrs.fr)


Main Binding Site Prediction:


Binding Site Prediction

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Binding Site Number :C3_S1
Best Complexes choosen after comparative docking [pKd > 3] : 4 (5 maxi)

Complexes [Theoretical pKd]FileVolume (A3)
(FPocket)
Hydrophobicity
Score(FPocket)
Contacts Ligand/Receptor [<4A] in Site C3_S1
Complex: DAO_E_5(2ALG) / Model_19(2ALG/A) = [3.9] Download767.1037.88ITCGQVTGSLAPCIVYLRSGGPIPVPCCNGVRSLNAAARTTPDRQTACNCLKQAAGSIPNLNPNNAVGLPRACGVSIPYKISISTDCSKVR
Complex: LPC_A_4(1BWO) / Model_24(1BWO/A) = [4.0] Download1128.5945.50ITCGQVTGSLAPCIVYLRSGGPIPVPCCNGVRSLNAAARTTPDRQTACNCLKQAAGSIPNLNPNNAVGLPRACGVSIPYKISISTDCSKVR
Complex: OLA_A_2(1FK5) / Model_11(1FK5/A) = [5.5] Download1211.8441.11ITCGQVTGSLAPCIVYLRSGGPIPVPCCNGVRSLNAAARTTPDRQTACNCLKQAAGSIPNLNPNNAVGLPRACGVSIPYKISISTDCSKVR
Complex: LPC_A_3(1BWO) / Model_24(1BWO/A) = [6.8] Download1619.5342.59ITCGQVTGSLAPCIVYLRSGGPIPVPCCNGVRSLNAAARTTPDRQTACNCLKQAAGSIPNLNPNNAVGLPRACGVSIPYKISISTDCSKVR
Consensus
[pKd Mean = 5.05]
-1181
(s=303)
41
(s=2)
ITCGQVTGSLAPCIVYLRSGGPIPVPCCNGVRSLNAAARTTPDRQTACNCLKQAAGSIPNLNPNNAVGLPRACGVSIPYKISISTDCSKVR