Study : jhp_0591 (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: GUD_B_14(2PA4) / Model_33(2PA4/B) = [4.4] Download1026.7322.18MIKKCLFPAAGYGTRFLPITKTIPKEMLPIVDKPLIQYAVEEAMEAGCEVMAIVTGRNKRSLEDYFDTSYEIEHQIQGTNKENALKSIRNIIEKCCFSYVRQKQMKGLGHAILTGEALIGNEPFAVILADDLCISHEYPSVLKQMTSLYQKYQCSIVAIEEVVLEEVSKYGVIRGEWLEERVYEIKDMVEKPSQEDAPSNLAVIGRYILTPDIFDILRETKPGKNNEIQITDALLTQAKRKRIIAYQFKGKRYDCGSVEGYIEASNAYYKKRL
Complex: GUD_A_13(2PA4) / Model_3(2PA4/A) = [5.6] Download1024.1423.11MIKKCLFPAAGYGTRFLPITKTIPKEMLPIVDKPLIQYAVEEAMEAGCEVMAIVTGRNKRSLEDYFDTSYEIEHQIQGTNKENALKSIRNIIEKCCFSYVRQKQMKGLGHAILTGEALIGNEPFAVILADDLCISHEYPSVLKQMTSLYQKYQCSIVAIEEVVLEEVSKYGVIRGEWLEERVYEIKDMVEKPSQEDAPSNLAVIGRYILTPDIFDILRETKPGKNNEIQITDALLTQAKRKRIIAYQFKGKRYDCGSVEGYIEASNAYYKKRL
Complex: GUD_A_13(2PA4) / Model_67(2PA4/A) = [5.7] Download927.5423.11MIKKCLFPAAGYGTRFLPITKTIPKEMLPIVDKPLIQYAVEEAMEAGCEVMAIVTGRNKRSLEDYFDTSYEIEHQIQGTNKENALKSIRNIIEKCCFSYVRQKQMKGLGHAILTGEALIGNEPFAVILADDLCISHEYPSVLKQMTSLYQKYQCSIVAIEEVVLEEVSKYGVIRGEWLEERVYEIKDMVEKPSQEDAPSNLAVIGRYILTPDIFDILRETKPGKNNEIQITDALLTQAKRKRIIAYQFKGKRYDCGSVEGYIEASNAYYKKRL
Complex: GUD_D_16(2PA4) / Model_31(2PA4/D) = [5.8] Download1166.0422.38MIKKCLFPAAGYGTRFLPITKTIPKEMLPIVDKPLIQYAVEEAMEAGCEVMAIVTGRNKRSLEDYFDTSYEIEHQIQGTNKENALKSIRNIIEKCCFSYVRQKQMKGLGHAILTGEALIGNEPFAVILADDLCISHEYPSVLKQMTSLYQKYQCSIVAIEEVVLEEVSKYGVIRGEWLEERVYEIKDMVEKPSQEDAPSNLAVIGRYILTPDIFDILRETKPGKNNEIQITDALLTQAKRKRIIAYQFKGKRYDCGSVEGYIEASNAYYKKRL
Complex: GUD_C_15(2PA4) / Model_32(2PA4/C) = [6.0] Download1094.9522.02MIKKCLFPAAGYGTRFLPITKTIPKEMLPIVDKPLIQYAVEEAMEAGCEVMAIVTGRNKRSLEDYFDTSYEIEHQIQGTNKENALKSIRNIIEKCCFSYVRQKQMKGLGHAILTGEALIGNEPFAVILADDLCISHEYPSVLKQMTSLYQKYQCSIVAIEEVVLEEVSKYGVIRGEWLEERVYEIKDMVEKPSQEDAPSNLAVIGRYILTPDIFDILRETKPGKNNEIQITDALLTQAKRKRIIAYQFKGKRYDCGSVEGYIEASNAYYKKRL
Consensus
[pKd Mean = 5.50]
-1047
(s=79)
22
(s=0)
MIKKCLFPAAGYGTRFLPITKTIPKEMLPIVDKPLIQYAVEEAMEAGCEVMAIVTGRNKRSLEDYFDTSYEIEHQIQGTNKENALKSIRNIIEKCCFSYVRQKQMKGLGHAILTGEALIGNEPFAVILADDLCISHEYPSVLKQMTSLYQKYQCSIVAIEEVVLEEVSKYGVIRGEWLEERVYEIKDMVEKPSQEDAPSNLAVIGRYILTPDIFDILRETKPGKNNEIQITDALLTQAKRKRIIAYQFKGKRYDCGSVEGYIEASNAYYKKRL