Study : SA1202 (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] : 5 (5 maxi)

Complexes [Theoretical pKd]FileVolume (A3)
(FPocket)
Hydrophobicity
Score(FPocket)
Contacts Ligand/Receptor [<4A] in Site C3_S1
Complex: ACY_B_14(1VC4) / Model_23(1VC4/B) = [3.1] Download536.7713.67MTILAEIVKYKQSLLQNGYYQDKLNTLKSVKIQNKKSFINAIEKEPKLAIIAEIKSKSPTVNDLPERDLSQQISDYEKYGANAVSILTDEKYFGGSFERLQALTTKTTLPVLCKDFIIDPLQIDVAKQAGASMILLIVNILSDKQLKDLYNYAISQNLEVLIEVHDRHELERAYKVNAKLIGVNNRDLKRFVTNVEHTNTILENKKPNHHYISESGIHDASDVRKILHSGIDGLLIGEALMRCDNLSEFLPQLKMQKVKS
Complex: 5RG_A_2(3T78) / Model_14(3T78/A) = [3.1] Download412.6811.00MTILAEIVKYKQSLLQNGYYQDKLNTLKSVKIQNKKSFINAIEKEPKLAIIAEIKSKSPTVNDLPERDLSQQISDYEKYGANAVSILTDEKYFGGSFERLQALTTKTTLPVLCKDFIIDPLQIDVAKQAGASMILLIVNILSDKQLKDLYNYAISQNLEVLIEVHDRHELERAYKVNAKLIGVNNRDLKRFVTNVEHTNTILENKKPNHHYISESGIHDASDVRKILHSGIDGLLIGEALMRCDNLSEFLPQLKMQKVKS
Complex: 3RG_A_2(3T40) / Model_11(3T40/A) = [3.1] Download632.3113.62MTILAEIVKYKQSLLQNGYYQDKLNTLKSVKIQNKKSFINAIEKEPKLAIIAEIKSKSPTVNDLPERDLSQQISDYEKYGANAVSILTDEKYFGGSFERLQALTTKTTLPVLCKDFIIDPLQIDVAKQAGASMILLIVNILSDKQLKDLYNYAISQNLEVLIEVHDRHELERAYKVNAKLIGVNNRDLKRFVTNVEHTNTILENKKPNHHYISESGIHDASDVRKILHSGIDGLLIGEALMRCDNLSEFLPQLKMQKVKS
Complex: BE2_A_3(3T44) / Model_12(3T44/A) = [3.3] Download430.4821.33MTILAEIVKYKQSLLQNGYYQDKLNTLKSVKIQNKKSFINAIEKEPKLAIIAEIKSKSPTVNDLPERDLSQQISDYEKYGANAVSILTDEKYFGGSFERLQALTTKTTLPVLCKDFIIDPLQIDVAKQAGASMILLIVNILSDKQLKDLYNYAISQNLEVLIEVHDRHELERAYKVNAKLIGVNNRDLKRFVTNVEHTNTILENKKPNHHYISESGIHDASDVRKILHSGIDGLLIGEALMRCDNLSEFLPQLKMQKVKS
Complex: 4RG_A_2(3T55) / Model_13(3T55/A) = [5.3] Download584.6110.43MTILAEIVKYKQSLLQNGYYQDKLNTLKSVKIQNKKSFINAIEKEPKLAIIAEIKSKSPTVNDLPERDLSQQISDYEKYGANAVSILTDEKYFGGSFERLQALTTKTTLPVLCKDFIIDPLQIDVAKQAGASMILLIVNILSDKQLKDLYNYAISQNLEVLIEVHDRHELERAYKVNAKLIGVNNRDLKRFVTNVEHTNTILENKKPNHHYISESGIHDASDVRKILHSGIDGLLIGEALMRCDNLSEFLPQLKMQKVKS
Consensus
[pKd Mean = 3.58]
-519
(s=85)
14
(s=3)
MTILAEIVKYKQSLLQNGYYQDKLNTLKSVKIQNKKSFINAIEKEPKLAIIAEIKSKSPTVNDLPERDLSQQISDYEKYGANAVSILTDEKYFGGSFERLQALTTKTTLPVLCKDFIIDPLQIDVAKQAGASMILLIVNILSDKQLKDLYNYAISQNLEVLIEVHDRHELERAYKVNAKLIGVNNRDLKRFVTNVEHTNTILENKKPNHHYISESGIHDASDVRKILHSGIDGLLIGEALMRCDNLSEFLPQLKMQKVKS