Study : PA4572 (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] : 5 (5 maxi)

Complexes [Theoretical pKd]FileVolume (A3)
(FPocket)
Hydrophobicity
Score(FPocket)
Contacts Ligand/Receptor [<4A] in Site C4_S1
Complex: 4GI_B_6(4GIV) / Model_25(4GIV/B) = [3.3] Download887.4044.43MSELNLTTDEARVSYGIGRQLGDQLRENPVPGMTLDAVLAGLSDAFAGIDSRVSGEALSASFQVIRERMQAEAQAKAEAAAGEGRAYLAENAKREGVTVLPSGLQFEVLSTGEGAKPSREDTVRTHYHGTLIDGTVFDSSYQRGQPAEFPVGGVIAGWVEALQLMNAGSKWRLHVPSELAYGGQAVGSIPPHSVLVFDVELLEIL
Complex: DMS_H_8(1D7H) / Model_57(1D7H/B) = [3.6] Download420.1137.91MSELNLTTDEARVSYGIGRQLGDQLRENPVPGMTLDAVLAGLSDAFAGIDSRVSGEALSASFQVIRERMQAEAQAKAEAAAGEGRAYLAENAKREGVTVLPSGLQFEVLSTGEGAKPSREDTVRTHYHGTLIDGTVFDSSYQRGQPAEFPVGGVIAGWVEALQLMNAGSKWRLHVPSELAYGGQAVGSIPPHSVLVFDVELLEIL
Complex: DMS_A_3(3O5Q) / Model_113(3O5Q/A) = [3.6] Download497.0446.55MSELNLTTDEARVSYGIGRQLGDQLRENPVPGMTLDAVLAGLSDAFAGIDSRVSGEALSASFQVIRERMQAEAQAKAEAAAGEGRAYLAENAKREGVTVLPSGLQFEVLSTGEGAKPSREDTVRTHYHGTLIDGTVFDSSYQRGQPAEFPVGGVIAGWVEALQLMNAGSKWRLHVPSELAYGGQAVGSIPPHSVLVFDVELLEIL
Complex: DMS_G_7(1D7H) / Model_58(1D7H/A) = [3.6] Download358.9836.80MSELNLTTDEARVSYGIGRQLGDQLRENPVPGMTLDAVLAGLSDAFAGIDSRVSGEALSASFQVIRERMQAEAQAKAEAAAGEGRAYLAENAKREGVTVLPSGLQFEVLSTGEGAKPSREDTVRTHYHGTLIDGTVFDSSYQRGQPAEFPVGGVIAGWVEALQLMNAGSKWRLHVPSELAYGGQAVGSIPPHSVLVFDVELLEIL
Complex: TST_B_2(1J4I) / Model_43(1J4I/A) = [3.9] Download1548.6737.59MSELNLTTDEARVSYGIGRQLGDQLRENPVPGMTLDAVLAGLSDAFAGIDSRVSGEALSASFQVIRERMQAEAQAKAEAAAGEGRAYLAENAKREGVTVLPSGLQFEVLSTGEGAKPSREDTVRTHYHGTLIDGTVFDSSYQRGQPAEFPVGGVIAGWVEALQLMNAGSKWRLHVPSELAYGGQAVGSIPPHSVLVFDVELLEIL
Consensus
[pKd Mean = 3.60]
-742
(s=443)
40
(s=4)
MSELNLTTDEARVSYGIGRQLGDQLRENPVPGMTLDAVLAGLSDAFAGIDSRVSGEALSASFQVIRERMQAEAQAKAEAAAGEGRAYLAENAKREGVTVLPSGLQFEVLSTGEGAKPSREDTVRTHYHGTLIDGTVFDSSYQRGQPAEFPVGGVIAGWVEALQLMNAGSKWRLHVPSELAYGGQAVGSIPPHSVLVFDVELLEIL