Study : 781_tI_MEDTR (atomeDB@cbs.cnrs.fr)


Main Binding Site Prediction:


Binding Site Prediction

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Binding Site Number :C4_S1
Best Complexes choosen after comparative docking [pKd > 3] : 3 (5 maxi)

Complexes [Theoretical pKd]FileVolume (A3)
(FPocket)
Hydrophobicity
Score(FPocket)
Contacts Ligand/Receptor [<4A] in Site C4_S1
Complex: DAO_E_5(2ALG) / Model_14(2ALG/A) = [3.7] Download726.0151.43ALSCPQVQLTVVPCLGYLRNPGPSVPAPCCNGLRGLNNQAKTTPERQSVCRCLKTTAQSLSGLNVPALATLPKKCGVNLPYKISTAIDCNTVKY
Complex: OLA_A_2(1FK5) / Model_32(1FK5/A) = [5.0] Download999.8458.37ALSCPQVQLTVVPCLGYLRNPGPSVPAPCCNGLRGLNNQAKTTPERQSVCRCLKTTAQSLSGLNVPALATLPKKCGVNLPYKISTAIDCNTVKY
Complex: LPC_A_4(1BWO) / Model_16(1BWO/A) = [5.3] Download1320.7462.69ALSCPQVQLTVVPCLGYLRNPGPSVPAPCCNGLRGLNNQAKTTPERQSVCRCLKTTAQSLSGLNVPALATLPKKCGVNLPYKISTAIDCNTVKY
Consensus
[pKd Mean = 4.67]
-1015
(s=243)
57
(s=4)
ALSCPQVQLTVVPCLGYLRNPGPSVPAPCCNGLRGLNNQAKTTPERQSVCRCLKTTAQSLSGLNVPALATLPKKCGVNLPYKISTAIDCNTVKY