Study : bsu00710 (atomeDB@cbs.cnrs.fr)


Main Binding Site Prediction:


Binding Site Prediction

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Binding Site Number :C4_S1
Best Complexes choosen after comparative docking [pKd > 3] : 3 (5 maxi)

Complexes [Theoretical pKd]FileVolume (A3)
(FPocket)
Hydrophobicity
Score(FPocket)
Contacts Ligand/Receptor [<4A] in Site C4_S1
Complex: UNL_A_7(1VQ0) / Model_24(1VQ0/A) = [4.2] Download810.03-11.38MDYLVKALAYDGKVRAYAARTTDMVNEGQRRHGTWPTASAALGRTMTASLMLGAMLKGDDKLTVKIEGGGPIGAIVADANAKGEVRAYVSNPQVHFDLNEQGKLDVRRAVGTNGTLSVVKDLGLREFFTGQVEIVSGELGDDFTYYLVSSEQVPSSVGVGVLVNPDNTILAAGGFIIQLMPGTDDETITKIEQRLSQVEPISKLIQKGLTPEEILEEVLGEKPEILETMPVRFHCPCSKERFETAILGLGKKEIQDMIEEDGQAEAVCHFCNEKYLFTKEELEGLRDQTTR
Complex: UNL_A_7(1VQ0) / Model_2(1VQ0/A) = [4.2] Download1045.24-11.38MDYLVKALAYDGKVRAYAARTTDMVNEGQRRHGTWPTASAALGRTMTASLMLGAMLKGDDKLTVKIEGGGPIGAIVADANAKGEVRAYVSNPQVHFDLNEQGKLDVRRAVGTNGTLSVVKDLGLREFFTGQVEIVSGELGDDFTYYLVSSEQVPSSVGVGVLVNPDNTILAAGGFIIQLMPGTDDETITKIEQRLSQVEPISKLIQKGLTPEEILEEVLGEKPEILETMPVRFHCPCSKERFETAILGLGKKEIQDMIEEDGQAEAVCHFCNEKYLFTKEELEGLRDQTTR
Complex: UNL_B_8(1VQ0) / Model_22(1VQ0/B) = [4.2] Download1066.67-11.38MDYLVKALAYDGKVRAYAARTTDMVNEGQRRHGTWPTASAALGRTMTASLMLGAMLKGDDKLTVKIEGGGPIGAIVADANAKGEVRAYVSNPQVHFDLNEQGKLDVRRAVGTNGTLSVVKDLGLREFFTGQVEIVSGELGDDFTYYLVSSEQVPSSVGVGVLVNPDNTILAAGGFIIQLMPGTDDETITKIEQRLSQVEPISKLIQKGLTPEEILEEVLGEKPEILETMPVRFHCPCSKERFETAILGLGKKEIQDMIEEDGQAEAVCHFCNEKYLFTKEELEGLRDQTTR
Consensus
[pKd Mean = 4.20]
-973
(s=116)
-11
(s=0)
MDYLVKALAYDGKVRAYAARTTDMVNEGQRRHGTWPTASAALGRTMTASLMLGAMLKGDDKLTVKIEGGGPIGAIVADANAKGEVRAYVSNPQVHFDLNEQGKLDVRRAVGTNGTLSVVKDLGLREFFTGQVEIVSGELGDDFTYYLVSSEQVPSSVGVGVLVNPDNTILAAGGFIIQLMPGTDDETITKIEQRLSQVEPISKLIQKGLTPEEILEEVLGEKPEILETMPVRFHCPCSKERFETAILGLGKKEIQDMIEEDGQAEAVCHFCNEKYLFTKEELEGLRDQTTR