Study : PA0024 (atomeDB@cbs.cnrs.fr)


Main Binding Site Prediction:


Binding Site Prediction

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Binding Site Number :C5_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 C5_S1
Complex: CIT_A_2(2AEX) / Model_20(2AEX/A) = [3.1] Download536.4117.72MTDRIAAVKTYLLDLQDRICAALEAEDGKARFAEDAWERPAGGGGRTRVIGDGALIEKGGVNFSHVFGDSLPPSASAHRPELAGRGFQALGVSLVIHPENPHVPTSHANVRFFCAEKEGEEPVWWFGGGFDLTPYYAHEEDCVHWHRVARDACAPFGADVYPRYKEWCDRYFHLKHRNEPRGIGGLFFDDLNQWDFDTCFAFIRAIGDAYIDAYLPIVQRRKHTPFDERQREFQAYRRGRYVEFNLVFDRGTLFGLQSGGRTESILMSLPPQVRWGYDWKPEPGSEEARLTEYFLADRDWLAGQP
Complex: CIT_A_2(2AEX) / Model_7(2AEX/A) = [3.1] Download531.6420.88MTDRIAAVKTYLLDLQDRICAALEAEDGKARFAEDAWERPAGGGGRTRVIGDGALIEKGGVNFSHVFGDSLPPSASAHRPELAGRGFQALGVSLVIHPENPHVPTSHANVRFFCAEKEGEEPVWWFGGGFDLTPYYAHEEDCVHWHRVARDACAPFGADVYPRYKEWCDRYFHLKHRNEPRGIGGLFFDDLNQWDFDTCFAFIRAIGDAYIDAYLPIVQRRKHTPFDERQREFQAYRRGRYVEFNLVFDRGTLFGLQSGGRTESILMSLPPQVRWGYDWKPEPGSEEARLTEYFLADRDWLAGQP
Consensus
[pKd Mean = 3.10]
-534
(s=2)
19
(s=1)
MTDRIAAVKTYLLDLQDRICAALEAEDGKARFAEDAWERPAGGGGRTRVIGDGALIEKGGVNFSHVFGDSLPPSASAHRPELAGRGFQALGVSLVIHPENPHVPTSHANVRFFCAEKEGEEPVWWFGGGFDLTPYYAHEEDCVHWHRVARDACAPFGADVYPRYKEWCDRYFHLKHRNEPRGIGGLFFDDLNQWDFDTCFAFIRAIGDAYIDAYLPIVQRRKHTPFDERQREFQAYRRGRYVEFNLVFDRGTLFGLQSGGRTESILMSLPPQVRWGYDWKPEPGSEEARLTEYFLADRDWLAGQP