Study : bsu02560 (atomeDB@cbs.cnrs.fr)


Main Binding Site Prediction:


Binding Site Prediction

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Binding Site Number :C1_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 C1_S1
Complex: ADP_A_2(4JAU) / Model_5(4JAU/A) = [6.1] Download989.0431.46MTVLWVAAVIALACLNVIQFIMKKKRDGNLAYTADQLSYMLSRDSAGQILLPTDDHALKDLLVNINLIVENRQQISAQFAKTEQSMKRMLTNMSHDLKTPLTVILGYIEAIQSDPNMPDEERERLLGKLRQKTNELIQMINSFFDLAKLESEDKEIPITKVHMNDICKRNILHYYDAVQSKGFQAAIDIPDTPVYAQANEEALDRILQNLLSNAIQYGAAGKLIGLTLSYDERNIAITVWDRGKGISETDQQRVFERLYTLEESRNKAFQGSGLGLTITKRLTEKMGGIISVQSKPYERTAFTITLKRMTY
Complex: ADP_A_2(2C2A) / Model_9(2C2A/A) = [7.1] Download1137.0632.15MTVLWVAAVIALACLNVIQFIMKKKRDGNLAYTADQLSYMLSRDSAGQILLPTDDHALKDLLVNINLIVENRQQISAQFAKTEQSMKRMLTNMSHDLKTPLTVILGYIEAIQSDPNMPDEERERLLGKLRQKTNELIQMINSFFDLAKLESEDKEIPITKVHMNDICKRNILHYYDAVQSKGFQAAIDIPDTPVYAQANEEALDRILQNLLSNAIQYGAAGKLIGLTLSYDERNIAITVWDRGKGISETDQQRVFERLYTLEESRNKAFQGSGLGLTITKRLTEKMGGIISVQSKPYERTAFTITLKRMTY
Consensus
[pKd Mean = 6.60]
-1063
(s=74)
31
(s=0)
MTVLWVAAVIALACLNVIQFIMKKKRDGNLAYTADQLSYMLSRDSAGQILLPTDDHALKDLLVNINLIVENRQQISAQFAKTEQSMKRMLTNMSHDLKTPLTVILGYIEAIQSDPNMPDEERERLLGKLRQKTNELIQMINSFFDLAKLESEDKEIPITKVHMNDICKRNILHYYDAVQSKGFQAAIDIPDTPVYAQANEEALDRILQNLLSNAIQYGAAGKLIGLTLSYDERNIAITVWDRGKGISETDQQRVFERLYTLEESRNKAFQGSGLGLTITKRLTEKMGGIISVQSKPYERTAFTITLKRMTY