Study : D2PYS6_KRIFD (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] : 1 (5 maxi)

Complexes [Theoretical pKd]FileVolume (A3)
(FPocket)
Hydrophobicity
Score(FPocket)
Contacts Ligand/Receptor [<4A] in Site C2_S1
Complex: AMP_A_3(4R78) / Model_67(4R78/A) = [4.2] Download1093.8324.92MSGRALLNDTWAVVTTPRPIVDAVVRSVCGRAVERLVPLAGGGLNETYRAEFAGDVAVVVRIARRPTPWFIDEAHLMAQAAAAGVPTAQVLGLEHLDHDGEPLSFSIQQFLPGRSLEELSGELPAFALERVVAEAGEILARVHSVVPDDQRGIQHELRLPDEHEVARVARIVATALGPAAAAVVERGANFLRQEVTTRTAPPISLVHGDFCPKNLLIHDGTVAGFIDWEFAGPASPAYDFAQWEVDAGEPLHDRVDLVRRGYARVADPGTADAGWTPAFAVDWSLEKLGWTNPAAPAQFRRCVDVIARYTVC
Consensus
[pKd Mean = 4.20]
-1093
(s=0)
24
(s=0)
MSGRALLNDTWAVVTTPRPIVDAVVRSVCGRAVERLVPLAGGGLNETYRAEFAGDVAVVVRIARRPTPWFIDEAHLMAQAAAAGVPTAQVLGLEHLDHDGEPLSFSIQQFLPGRSLEELSGELPAFALERVVAEAGEILARVHSVVPDDQRGIQHELRLPDEHEVARVARIVATALGPAAAAVVERGANFLRQEVTTRTAPPISLVHGDFCPKNLLIHDGTVAGFIDWEFAGPASPAYDFAQWEVDAGEPLHDRVDLVRRGYARVADPGTADAGWTPAFAVDWSLEKLGWTNPAAPAQFRRCVDVIARYTVC