Study : bsu27440 (atomeDB@cbs.cnrs.fr)


Main Binding Site Prediction:


Binding Site Prediction

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Binding Site Number :C1_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 C1_S1
Complex: GLN_A_2(4ZV2) / Model_3(4ZV2/A) = [3.8] Download4831.2716.06MKKIFSLALISLFAVILLAACGSKGSNGEASKESKKDTLAAIKDNDKIVFGVKTDTRLFGLKNPSSGEIEGFDIDIAKQIAKDILGDEKKAQFKEVTSKTRIPMLQNGDIDAIVATMTITEERKKEVDFSDVYFEAGQSLLVKKGSKIKSVENLGKGSKVLAVKGSTSSQNIREKAPEASVLEFENYAEAFTALKSGQGDALTTDNAILYGMADENKNYQLTGKPFTDEPYGIAVKKGQSALAKEINASLKKMKSDGRYDEIYKKWIKEDPAE
Complex: ARG_A_2(4ZV1) / Model_2(4ZV1/A) = [4.1] Download2905.4317.86MKKIFSLALISLFAVILLAACGSKGSNGEASKESKKDTLAAIKDNDKIVFGVKTDTRLFGLKNPSSGEIEGFDIDIAKQIAKDILGDEKKAQFKEVTSKTRIPMLQNGDIDAIVATMTITEERKKEVDFSDVYFEAGQSLLVKKGSKIKSVENLGKGSKVLAVKGSTSSQNIREKAPEASVLEFENYAEAFTALKSGQGDALTTDNAILYGMADENKNYQLTGKPFTDEPYGIAVKKGQSALAKEINASLKKMKSDGRYDEIYKKWIKEDPAE
Complex: GGL_A_3(5EYF) / Model_1(5EYF/A) = [4.7] Download232.93-2.73MKKIFSLALISLFAVILLAACGSKGSNGEASKESKKDTLAAIKDNDKIVFGVKTDTRLFGLKNPSSGEIEGFDIDIAKQIAKDILGDEKKAQFKEVTSKTRIPMLQNGDIDAIVATMTITEERKKEVDFSDVYFEAGQSLLVKKGSKIKSVENLGKGSKVLAVKGSTSSQNIREKAPEASVLEFENYAEAFTALKSGQGDALTTDNAILYGMADENKNYQLTGKPFTDEPYGIAVKKGQSALAKEINASLKKMKSDGRYDEIYKKWIKEDPAE
Complex: GGL_B_5(5EYF) / Model_21(5EYF/B) = [4.8] Download124.800.08MKKIFSLALISLFAVILLAACGSKGSNGEASKESKKDTLAAIKDNDKIVFGVKTDTRLFGLKNPSSGEIEGFDIDIAKQIAKDILGDEKKAQFKEVTSKTRIPMLQNGDIDAIVATMTITEERKKEVDFSDVYFEAGQSLLVKKGSKIKSVENLGKGSKVLAVKGSTSSQNIREKAPEASVLEFENYAEAFTALKSGQGDALTTDNAILYGMADENKNYQLTGKPFTDEPYGIAVKKGQSALAKEINASLKKMKSDGRYDEIYKKWIKEDPAE
Consensus
[pKd Mean = 4.35]
-2023
(s=1966)
7
(s=9)
MKKIFSLALISLFAVILLAACGSKGSNGEASKESKKDTLAAIKDNDKIVFGVKTDTRLFGLKNPSSGEIEGFDIDIAKQIAKDILGDEKKAQFKEVTSKTRIPMLQNGDIDAIVATMTITEERKKEVDFSDVYFEAGQSLLVKKGSKIKSVENLGKGSKVLAVKGSTSSQNIREKAPEASVLEFENYAEAFTALKSGQGDALTTDNAILYGMADENKNYQLTGKPFTDEPYGIAVKKGQSALAKEINASLKKMKSDGRYDEIYKKWIKEDPAE