Study : I1BMF0_RHIO9 (atomeDB@cbs.cnrs.fr)


Main Binding Site Prediction:


Binding Site Prediction

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Binding Site Number :C8_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 C8_S1
Complex: EDO_A_10(5FTG) / Model_48(5FTG/A) = [3.2] Download761.8427.86MSATTDRTQRPLLSKSKKLNSLHSKSSPALNFDESHSLSIKRRKVNTRDPAVYFVTIGSKRMLLRIYGIGCEQILDRDKELDWLSRLSRLNIGPSLLGTFDNGRFEEYLESTTLTWHDLRDPFISAQIASRLNQLHSIVDTFPPAENEPLEVWQNIDKWYRSLESEVLSTLKKNPVWAKMIEQSLDLSQLHKDIETCKSILNTLSTPTVFAHNDTQYGNILKIENTDELVVIDFEYAGYNPRGYDIANHFCEWMYDYHSSEPAKMNHKSYPTHKEQVRFLTAYDKHHVTELLREVELWKMACHLFWGLWGLVQASQSEIDFDYFGYSLERLSVFKQELDAKATQIA
Complex: ADP_A_4(3FEG) / Model_2(3FEG/A) = [3.5] Download715.2117.16MSATTDRTQRPLLSKSKKLNSLHSKSSPALNFDESHSLSIKRRKVNTRDPAVYFVTIGSKRMLLRIYGIGCEQILDRDKELDWLSRLSRLNIGPSLLGTFDNGRFEEYLESTTLTWHDLRDPFISAQIASRLNQLHSIVDTFPPAENEPLEVWQNIDKWYRSLESEVLSTLKKNPVWAKMIEQSLDLSQLHKDIETCKSILNTLSTPTVFAHNDTQYGNILKIENTDELVVIDFEYAGYNPRGYDIANHFCEWMYDYHSSEPAKMNHKSYPTHKEQVRFLTAYDKHHVTELLREVELWKMACHLFWGLWGLVQASQSEIDFDYFGYSLERLSVFKQELDAKATQIA
Complex: ADP_A_7(3LQ3) / Model_1(3LQ3/A) = [3.9] Download658.2917.16MSATTDRTQRPLLSKSKKLNSLHSKSSPALNFDESHSLSIKRRKVNTRDPAVYFVTIGSKRMLLRIYGIGCEQILDRDKELDWLSRLSRLNIGPSLLGTFDNGRFEEYLESTTLTWHDLRDPFISAQIASRLNQLHSIVDTFPPAENEPLEVWQNIDKWYRSLESEVLSTLKKNPVWAKMIEQSLDLSQLHKDIETCKSILNTLSTPTVFAHNDTQYGNILKIENTDELVVIDFEYAGYNPRGYDIANHFCEWMYDYHSSEPAKMNHKSYPTHKEQVRFLTAYDKHHVTELLREVELWKMACHLFWGLWGLVQASQSEIDFDYFGYSLERLSVFKQELDAKATQIA
Complex: HC7_A_2(3LQ3) / Model_1(3LQ3/A) = [7.0] Download1056.4716.86MSATTDRTQRPLLSKSKKLNSLHSKSSPALNFDESHSLSIKRRKVNTRDPAVYFVTIGSKRMLLRIYGIGCEQILDRDKELDWLSRLSRLNIGPSLLGTFDNGRFEEYLESTTLTWHDLRDPFISAQIASRLNQLHSIVDTFPPAENEPLEVWQNIDKWYRSLESEVLSTLKKNPVWAKMIEQSLDLSQLHKDIETCKSILNTLSTPTVFAHNDTQYGNILKIENTDELVVIDFEYAGYNPRGYDIANHFCEWMYDYHSSEPAKMNHKSYPTHKEQVRFLTAYDKHHVTELLREVELWKMACHLFWGLWGLVQASQSEIDFDYFGYSLERLSVFKQELDAKATQIA
Complex: HC7_A_2(3FEG) / Model_2(3FEG/A) = [7.1] Download1253.7814.13MSATTDRTQRPLLSKSKKLNSLHSKSSPALNFDESHSLSIKRRKVNTRDPAVYFVTIGSKRMLLRIYGIGCEQILDRDKELDWLSRLSRLNIGPSLLGTFDNGRFEEYLESTTLTWHDLRDPFISAQIASRLNQLHSIVDTFPPAENEPLEVWQNIDKWYRSLESEVLSTLKKNPVWAKMIEQSLDLSQLHKDIETCKSILNTLSTPTVFAHNDTQYGNILKIENTDELVVIDFEYAGYNPRGYDIANHFCEWMYDYHSSEPAKMNHKSYPTHKEQVRFLTAYDKHHVTELLREVELWKMACHLFWGLWGLVQASQSEIDFDYFGYSLERLSVFKQELDAKATQIA
Consensus
[pKd Mean = 4.94]
-889
(s=228)
18
(s=4)
MSATTDRTQRPLLSKSKKLNSLHSKSSPALNFDESHSLSIKRRKVNTRDPAVYFVTIGSKRMLLRIYGIGCEQILDRDKELDWLSRLSRLNIGPSLLGTFDNGRFEEYLESTTLTWHDLRDPFISAQIASRLNQLHSIVDTFPPAENEPLEVWQNIDKWYRSLESEVLSTLKKNPVWAKMIEQSLDLSQLHKDIETCKSILNTLSTPTVFAHNDTQYGNILKIENTDELVVIDFEYAGYNPRGYDIANHFCEWMYDYHSSEPAKMNHKSYPTHKEQVRFLTAYDKHHVTELLREVELWKMACHLFWGLWGLVQASQSEIDFDYFGYSLERLSVFKQELDAKATQIA