Study : bsu39540 (atomeDB@cbs.cnrs.fr)


Main Binding Site Prediction:


Binding Site Prediction

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Binding Site Number :C6_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 C6_S1
Complex: TAU_A_3(2BJF) / Model_3(2BJF/A) = [3.2] Download920.4220.23MCTSLTLETADRKHVLARTMDFAFQLGTEVILYPRRYSWNSEADGRAHQTQYAFIGMGRKLGNILFADGINESGLSCAALYFPGYAEYEKTIREDTVHIVPHEFVTWVLSVCQSLEDVKEKIRSLTIVEKKLDLLDTVLPLHWILSDRTGRNLTIEPRADGLKVYDNQPGVMTNSPDFIWHVTNLQQYTGIRPKQLESKEMGGLALSAFGQGLGTVGLPGDYTPPSRFVRAVYLKEHLEPAADETKGVTAAFQILANMTIPKGAVITEEDEIHYTQYTSVMCNETGNYYFHHYDNRQIQKVNLFHEDLDCLEPKVFSAKAEESIHELN
Complex: TAU_A_3(2BJF) / Model_36(2BJF/A) = [3.2] Download927.5020.23MCTSLTLETADRKHVLARTMDFAFQLGTEVILYPRRYSWNSEADGRAHQTQYAFIGMGRKLGNILFADGINESGLSCAALYFPGYAEYEKTIREDTVHIVPHEFVTWVLSVCQSLEDVKEKIRSLTIVEKKLDLLDTVLPLHWILSDRTGRNLTIEPRADGLKVYDNQPGVMTNSPDFIWHVTNLQQYTGIRPKQLESKEMGGLALSAFGQGLGTVGLPGDYTPPSRFVRAVYLKEHLEPAADETKGVTAAFQILANMTIPKGAVITEEDEIHYTQYTSVMCNETGNYYFHHYDNRQIQKVNLFHEDLDCLEPKVFSAKAEESIHELN
Complex: EDO_A_5(2RG2) / Model_11(2RG2/A) = [3.2] Download246.5763.73MCTSLTLETADRKHVLARTMDFAFQLGTEVILYPRRYSWNSEADGRAHQTQYAFIGMGRKLGNILFADGINESGLSCAALYFPGYAEYEKTIREDTVHIVPHEFVTWVLSVCQSLEDVKEKIRSLTIVEKKLDLLDTVLPLHWILSDRTGRNLTIEPRADGLKVYDNQPGVMTNSPDFIWHVTNLQQYTGIRPKQLESKEMGGLALSAFGQGLGTVGLPGDYTPPSRFVRAVYLKEHLEPAADETKGVTAAFQILANMTIPKGAVITEEDEIHYTQYTSVMCNETGNYYFHHYDNRQIQKVNLFHEDLDCLEPKVFSAKAEESIHELN
Complex: PNV_C_4(2Z71) / Model_29(2Z71/C) = [3.2] Download1120.1412.06MCTSLTLETADRKHVLARTMDFAFQLGTEVILYPRRYSWNSEADGRAHQTQYAFIGMGRKLGNILFADGINESGLSCAALYFPGYAEYEKTIREDTVHIVPHEFVTWVLSVCQSLEDVKEKIRSLTIVEKKLDLLDTVLPLHWILSDRTGRNLTIEPRADGLKVYDNQPGVMTNSPDFIWHVTNLQQYTGIRPKQLESKEMGGLALSAFGQGLGTVGLPGDYTPPSRFVRAVYLKEHLEPAADETKGVTAAFQILANMTIPKGAVITEEDEIHYTQYTSVMCNETGNYYFHHYDNRQIQKVNLFHEDLDCLEPKVFSAKAEESIHELN
Consensus
[pKd Mean = 3.20]
-803
(s=331)
29
(s=20)
MCTSLTLETADRKHVLARTMDFAFQLGTEVILYPRRYSWNSEADGRAHQTQYAFIGMGRKLGNILFADGINESGLSCAALYFPGYAEYEKTIREDTVHIVPHEFVTWVLSVCQSLEDVKEKIRSLTIVEKKLDLLDTVLPLHWILSDRTGRNLTIEPRADGLKVYDNQPGVMTNSPDFIWHVTNLQQYTGIRPKQLESKEMGGLALSAFGQGLGTVGLPGDYTPPSRFVRAVYLKEHLEPAADETKGVTAAFQILANMTIPKGAVITEEDEIHYTQYTSVMCNETGNYYFHHYDNRQIQKVNLFHEDLDCLEPKVFSAKAEESIHELN