Study : jhp_1266 (atomeDB@cbs.cnrs.fr)


Main Binding Site Prediction:


Binding Site Prediction

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Binding Site Number :C8_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 C8_S1
Complex: TUL_A_2(4WS8) / Model_37(4WS8/A) = [3.1] Download325.8734.76MKLFDYAPLSLAWREFLQSEFKKPYFLEIEKRYLEALKSPKTIFPKSSNLFCAFNLTPPYAVKIILLGQDPYHSTYLENEQELPVAMGLSFSVEKNAPIPPSLKNIFKELHANLGVPVPCCGDLSAWAKRGMLLLNAILSVEKNQAASHKYIGWEAFSDQILIRLFETTTPLIVVLLGKVAQKKIALIPKNKHIIITAPHPSPLSRGFLGSGVFTSVQKAYREVYRKDFDFSL
Complex: GOL_B_5(1OKB) / Model_22(1OKB/B) = [3.1] Download265.3717.25MKLFDYAPLSLAWREFLQSEFKKPYFLEIEKRYLEALKSPKTIFPKSSNLFCAFNLTPPYAVKIILLGQDPYHSTYLENEQELPVAMGLSFSVEKNAPIPPSLKNIFKELHANLGVPVPCCGDLSAWAKRGMLLLNAILSVEKNQAASHKYIGWEAFSDQILIRLFETTTPLIVVLLGKVAQKKIALIPKNKHIIITAPHPSPLSRGFLGSGVFTSVQKAYREVYRKDFDFSL
Complex: GOL_A_3(1OKB) / Model_23(1OKB/A) = [3.2] Download305.9821.50MKLFDYAPLSLAWREFLQSEFKKPYFLEIEKRYLEALKSPKTIFPKSSNLFCAFNLTPPYAVKIILLGQDPYHSTYLENEQELPVAMGLSFSVEKNAPIPPSLKNIFKELHANLGVPVPCCGDLSAWAKRGMLLLNAILSVEKNQAASHKYIGWEAFSDQILIRLFETTTPLIVVLLGKVAQKKIALIPKNKHIIITAPHPSPLSRGFLGSGVFTSVQKAYREVYRKDFDFSL
Complex: CIT_A_2(4WRY) / Model_47(4WRY/A) = [3.2] Download853.8941.07MKLFDYAPLSLAWREFLQSEFKKPYFLEIEKRYLEALKSPKTIFPKSSNLFCAFNLTPPYAVKIILLGQDPYHSTYLENEQELPVAMGLSFSVEKNAPIPPSLKNIFKELHANLGVPVPCCGDLSAWAKRGMLLLNAILSVEKNQAASHKYIGWEAFSDQILIRLFETTTPLIVVLLGKVAQKKIALIPKNKHIIITAPHPSPLSRGFLGSGVFTSVQKAYREVYRKDFDFSL
Complex: URF_A_2(4WS1) / Model_44(4WS1/A) = [3.2] Download290.9826.53MKLFDYAPLSLAWREFLQSEFKKPYFLEIEKRYLEALKSPKTIFPKSSNLFCAFNLTPPYAVKIILLGQDPYHSTYLENEQELPVAMGLSFSVEKNAPIPPSLKNIFKELHANLGVPVPCCGDLSAWAKRGMLLLNAILSVEKNQAASHKYIGWEAFSDQILIRLFETTTPLIVVLLGKVAQKKIALIPKNKHIIITAPHPSPLSRGFLGSGVFTSVQKAYREVYRKDFDFSL
Consensus
[pKd Mean = 3.16]
-408
(s=223)
28
(s=8)
MKLFDYAPLSLAWREFLQSEFKKPYFLEIEKRYLEALKSPKTIFPKSSNLFCAFNLTPPYAVKIILLGQDPYHSTYLENEQELPVAMGLSFSVEKNAPIPPSLKNIFKELHANLGVPVPCCGDLSAWAKRGMLLLNAILSVEKNQAASHKYIGWEAFSDQILIRLFETTTPLIVVLLGKVAQKKIALIPKNKHIIITAPHPSPLSRGFLGSGVFTSVQKAYREVYRKDFDFSL