Study : SA1695 (atomeDB@cbs.cnrs.fr)


Main Binding Site Prediction:


Binding Site Prediction

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Binding Site Number :C3_S1
Best Complexes choosen after comparative docking [pKd > 3] : 2 (5 maxi)

Complexes [Theoretical pKd]FileVolume (A3)
(FPocket)
Hydrophobicity
Score(FPocket)
Contacts Ligand/Receptor [<4A] in Site C3_S1
Complex: TRP_B_9(4ICS) / Model_22(4ICS/B) = [3.4] Download2434.2332.54MTNYKEKLQQYAELLVKVGMNVQPKQPVFIRSSVETLELTHLIVEEAYHCGASDVRVVYSDPTLKRLKFENESVEHFANHEIKSYDVEARMDYVKRGAANLALISEDPDLMDGIDSQKLQAFQQQNARAFKGYMESVQKNQFPWVVAAFPSKAWAKRVYPELSVEEAYIKFIDEVFDIVRIDGNDPVENWRQHIANLSVYAQKLQQKNYHALHYVSEGTDLTVGLAKNHIWEDATSYVNGEEQAFIANIPTEEVFTAPDRNRVDGYVTNKLPLSYNGTIIDQFKLMFKDGEIIDFSAEKGEAVLKDLINTDEGSRRLGEVALVPDDSPISNRNTIFYNTLFDENAACHLAIGSAYAFNIQGGTEMTVEEKIASGLNDSNVHVDFMIGSSDLTIYGIFEDGSKELVFENGNWASTF
Complex: TRP_A_5(4ICS) / Model_4(4ICS/A) = [4.7] Download2567.9030.87MTNYKEKLQQYAELLVKVGMNVQPKQPVFIRSSVETLELTHLIVEEAYHCGASDVRVVYSDPTLKRLKFENESVEHFANHEIKSYDVEARMDYVKRGAANLALISEDPDLMDGIDSQKLQAFQQQNARAFKGYMESVQKNQFPWVVAAFPSKAWAKRVYPELSVEEAYIKFIDEVFDIVRIDGNDPVENWRQHIANLSVYAQKLQQKNYHALHYVSEGTDLTVGLAKNHIWEDATSYVNGEEQAFIANIPTEEVFTAPDRNRVDGYVTNKLPLSYNGTIIDQFKLMFKDGEIIDFSAEKGEAVLKDLINTDEGSRRLGEVALVPDDSPISNRNTIFYNTLFDENAACHLAIGSAYAFNIQGGTEMTVEEKIASGLNDSNVHVDFMIGSSDLTIYGIFEDGSKELVFENGNWASTF
Consensus
[pKd Mean = 4.05]
-2501
(s=66)
31
(s=1)
MTNYKEKLQQYAELLVKVGMNVQPKQPVFIRSSVETLELTHLIVEEAYHCGASDVRVVYSDPTLKRLKFENESVEHFANHEIKSYDVEARMDYVKRGAANLALISEDPDLMDGIDSQKLQAFQQQNARAFKGYMESVQKNQFPWVVAAFPSKAWAKRVYPELSVEEAYIKFIDEVFDIVRIDGNDPVENWRQHIANLSVYAQKLQQKNYHALHYVSEGTDLTVGLAKNHIWEDATSYVNGEEQAFIANIPTEEVFTAPDRNRVDGYVTNKLPLSYNGTIIDQFKLMFKDGEIIDFSAEKGEAVLKDLINTDEGSRRLGEVALVPDDSPISNRNTIFYNTLFDENAACHLAIGSAYAFNIQGGTEMTVEEKIASGLNDSNVHVDFMIGSSDLTIYGIFEDGSKELVFENGNWASTF