Study : bsu08480 (atomeDB@cbs.cnrs.fr)


Main Binding Site Prediction:


Binding Site Prediction

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Binding Site Number :C2_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 C2_S1
Complex: FMN_B_15(2I7H) / Model_118(2I7H/A) = [4.2] Download918.6516.69MPQTEQIHQHSVLRDIIRSRRSIRKFKQEPVPSAVILDMLETAKYAPNHRVTEPWRFIYVSSETGKANLINTFAAFSKKSKPDMTEEKLQNFKNTLGRVPGFLLVVFQEDENERARDDDFAATSSLIQNLQLLAWEKGIGMVWKSGKILYDKEVHQAFGLQDNERFAAIIQTGYPDEAPEVKKRTPIRDRFTEM
Complex: FMN_B_15(2I7H) / Model_1(2I7H/A) = [4.2] Download1034.9416.69MPQTEQIHQHSVLRDIIRSRRSIRKFKQEPVPSAVILDMLETAKYAPNHRVTEPWRFIYVSSETGKANLINTFAAFSKKSKPDMTEEKLQNFKNTLGRVPGFLLVVFQEDENERARDDDFAATSSLIQNLQLLAWEKGIGMVWKSGKILYDKEVHQAFGLQDNERFAAIIQTGYPDEAPEVKKRTPIRDRFTEM
Consensus
[pKd Mean = 4.20]
-976
(s=58)
16
(s=0)
MPQTEQIHQHSVLRDIIRSRRSIRKFKQEPVPSAVILDMLETAKYAPNHRVTEPWRFIYVSSETGKANLINTFAAFSKKSKPDMTEEKLQNFKNTLGRVPGFLLVVFQEDENERARDDDFAATSSLIQNLQLLAWEKGIGMVWKSGKILYDKEVHQAFGLQDNERFAAIIQTGYPDEAPEVKKRTPIRDRFTEM