Study : PA1049 (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] : 5 (5 maxi)

Complexes [Theoretical pKd]FileVolume (A3)
(FPocket)
Hydrophobicity
Score(FPocket)
Contacts Ligand/Receptor [<4A] in Site C1_S1
Complex: FMN_F_6(1WV4) / Model_4(1WV4/A) = [3.1] Download901.11-1.27MTQSLADMRREYTRDGLSEANAPSDPFSLFRQWFDDAVKTERLPVEPNAMTLATVDADGYPHCRILLLKGLDERGFTFFTNYESAKGRQLAANPRAAMTFFWPALERQVRIEGSVEKVTPEESDAYYQVRPLGSRLGAWASPQSRVIADRAELERLLADTERRFADQPPSCPEHWGGYRLLPQRIEFWQGRPSRLHDRLDYRRQDGGWLRERLAP
Complex: FMN_E_5(1WV4) / Model_20(1WV4/B) = [3.2] Download776.165.18MTQSLADMRREYTRDGLSEANAPSDPFSLFRQWFDDAVKTERLPVEPNAMTLATVDADGYPHCRILLLKGLDERGFTFFTNYESAKGRQLAANPRAAMTFFWPALERQVRIEGSVEKVTPEESDAYYQVRPLGSRLGAWASPQSRVIADRAELERLLADTERRFADQPPSCPEHWGGYRLLPQRIEFWQGRPSRLHDRLDYRRQDGGWLRERLAP
Complex: NNV_A_4(4HMT) / Model_24(4HMT/B) = [3.2] Download708.9822.00MTQSLADMRREYTRDGLSEANAPSDPFSLFRQWFDDAVKTERLPVEPNAMTLATVDADGYPHCRILLLKGLDERGFTFFTNYESAKGRQLAANPRAAMTFFWPALERQVRIEGSVEKVTPEESDAYYQVRPLGSRLGAWASPQSRVIADRAELERLLADTERRFADQPPSCPEHWGGYRLLPQRIEFWQGRPSRLHDRLDYRRQDGGWLRERLAP
Complex: FMN_A_3(1JNW) / Model_8(1JNW/A) = [3.8] Download1024.934.07MTQSLADMRREYTRDGLSEANAPSDPFSLFRQWFDDAVKTERLPVEPNAMTLATVDADGYPHCRILLLKGLDERGFTFFTNYESAKGRQLAANPRAAMTFFWPALERQVRIEGSVEKVTPEESDAYYQVRPLGSRLGAWASPQSRVIADRAELERLLADTERRFADQPPSCPEHWGGYRLLPQRIEFWQGRPSRLHDRLDYRRQDGGWLRERLAP
Complex: FMN_D_4(1CI0) / Model_19(1CI0/B) = [3.8] Download950.7515.00MTQSLADMRREYTRDGLSEANAPSDPFSLFRQWFDDAVKTERLPVEPNAMTLATVDADGYPHCRILLLKGLDERGFTFFTNYESAKGRQLAANPRAAMTFFWPALERQVRIEGSVEKVTPEESDAYYQVRPLGSRLGAWASPQSRVIADRAELERLLADTERRFADQPPSCPEHWGGYRLLPQRIEFWQGRPSRLHDRLDYRRQDGGWLRERLAP
Consensus
[pKd Mean = 3.42]
-872
(s=115)
8
(s=8)
MTQSLADMRREYTRDGLSEANAPSDPFSLFRQWFDDAVKTERLPVEPNAMTLATVDADGYPHCRILLLKGLDERGFTFFTNYESAKGRQLAANPRAAMTFFWPALERQVRIEGSVEKVTPEESDAYYQVRPLGSRLGAWASPQSRVIADRAELERLLADTERRFADQPPSCPEHWGGYRLLPQRIEFWQGRPSRLHDRLDYRRQDGGWLRERLAP