Study : SA0453 (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] : 5 (5 maxi)

Complexes [Theoretical pKd]FileVolume (A3)
(FPocket)
Hydrophobicity
Score(FPocket)
Contacts Ligand/Receptor [<4A] in Site C1_S1
Complex: ADP_A_2(3PYG) / Model_7(3PYG/A) = [3.9] Download1023.4719.17MIYETAPAKINFTLDTLFKRNDGYHEIEMIMTTVDLNDRLTFHKRKDRKIVVEIEHNYVPSNHKNLAYRAAQLFIEQYQLKQGVTISIDKEIPVSAGLAGGSADAAATLRGLNRLFDIGASLEELALLGSKIGTDIPFCIYNKTALCTGRGEKIEFLNKPPSAWVILAKPNLGISSPDIFKLINLDKRYDVHTKMCYEALENRDYQQLCQSLSNRLEPISVSKHPQIDKLKNNMLKSGADGALMSGSGPTVYGLARKESQAKNIYNAVNGCCNEVYLVRLLG
Complex: CDM_A_2(3PYE) / Model_5(3PYE/A) = [4.2] Download1677.2013.12MIYETAPAKINFTLDTLFKRNDGYHEIEMIMTTVDLNDRLTFHKRKDRKIVVEIEHNYVPSNHKNLAYRAAQLFIEQYQLKQGVTISIDKEIPVSAGLAGGSADAAATLRGLNRLFDIGASLEELALLGSKIGTDIPFCIYNKTALCTGRGEKIEFLNKPPSAWVILAKPNLGISSPDIFKLINLDKRYDVHTKMCYEALENRDYQQLCQSLSNRLEPISVSKHPQIDKLKNNMLKSGADGALMSGSGPTVYGLARKESQAKNIYNAVNGCCNEVYLVRLLG
Complex: ANP_A_2(3PYF) / Model_21(3PYF/A) = [4.5] Download1603.2124.63MIYETAPAKINFTLDTLFKRNDGYHEIEMIMTTVDLNDRLTFHKRKDRKIVVEIEHNYVPSNHKNLAYRAAQLFIEQYQLKQGVTISIDKEIPVSAGLAGGSADAAATLRGLNRLFDIGASLEELALLGSKIGTDIPFCIYNKTALCTGRGEKIEFLNKPPSAWVILAKPNLGISSPDIFKLINLDKRYDVHTKMCYEALENRDYQQLCQSLSNRLEPISVSKHPQIDKLKNNMLKSGADGALMSGSGPTVYGLARKESQAKNIYNAVNGCCNEVYLVRLLG
Complex: ANP_A_2(3PYF) / Model_6(3PYF/A) = [4.5] Download1381.3823.84MIYETAPAKINFTLDTLFKRNDGYHEIEMIMTTVDLNDRLTFHKRKDRKIVVEIEHNYVPSNHKNLAYRAAQLFIEQYQLKQGVTISIDKEIPVSAGLAGGSADAAATLRGLNRLFDIGASLEELALLGSKIGTDIPFCIYNKTALCTGRGEKIEFLNKPPSAWVILAKPNLGISSPDIFKLINLDKRYDVHTKMCYEALENRDYQQLCQSLSNRLEPISVSKHPQIDKLKNNMLKSGADGALMSGSGPTVYGLARKESQAKNIYNAVNGCCNEVYLVRLLG
Complex: GVS_A_3(2VF3) / Model_16(2VF3/A) = [4.7] Download1068.7018.38MIYETAPAKINFTLDTLFKRNDGYHEIEMIMTTVDLNDRLTFHKRKDRKIVVEIEHNYVPSNHKNLAYRAAQLFIEQYQLKQGVTISIDKEIPVSAGLAGGSADAAATLRGLNRLFDIGASLEELALLGSKIGTDIPFCIYNKTALCTGRGEKIEFLNKPPSAWVILAKPNLGISSPDIFKLINLDKRYDVHTKMCYEALENRDYQQLCQSLSNRLEPISVSKHPQIDKLKNNMLKSGADGALMSGSGPTVYGLARKESQAKNIYNAVNGCCNEVYLVRLLG
Consensus
[pKd Mean = 4.36]
-1350
(s=267)
19
(s=4)
MIYETAPAKINFTLDTLFKRNDGYHEIEMIMTTVDLNDRLTFHKRKDRKIVVEIEHNYVPSNHKNLAYRAAQLFIEQYQLKQGVTISIDKEIPVSAGLAGGSADAAATLRGLNRLFDIGASLEELALLGSKIGTDIPFCIYNKTALCTGRGEKIEFLNKPPSAWVILAKPNLGISSPDIFKLINLDKRYDVHTKMCYEALENRDYQQLCQSLSNRLEPISVSKHPQIDKLKNNMLKSGADGALMSGSGPTVYGLARKESQAKNIYNAVNGCCNEVYLVRLLG