Study : jhp_0002 (atomeDB@cbs.cnrs.fr)


Main Binding Site Prediction:


Binding Site Prediction

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Binding Site Number :C6_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 C6_S1
Complex: RLP_D_14(1NQX) / Model_22(1NQX/D) = [4.8] Download1031.3819.12MQIIEGKLQLQGNEKIAILTSRFNHIITDRLKEGAMDCFKRHGGDEELLDLVLVPGAYELPLILDKLLESGKYDGVCVLGAIIRGGTPHFDYVSAEATKGIASAMLKYSMPVSFGVLTTDNIEQAIERAGSKAGNKGFEAMSTLIELLSLCQTLKD
Complex: RLP_C_13(1NQX) / Model_23(1NQX/C) = [4.9] Download1315.0719.12MQIIEGKLQLQGNEKIAILTSRFNHIITDRLKEGAMDCFKRHGGDEELLDLVLVPGAYELPLILDKLLESGKYDGVCVLGAIIRGGTPHFDYVSAEATKGIASAMLKYSMPVSFGVLTTDNIEQAIERAGSKAGNKGFEAMSTLIELLSLCQTLKD
Complex: RLP_B_12(1NQX) / Model_24(1NQX/B) = [4.9] Download1165.9819.12MQIIEGKLQLQGNEKIAILTSRFNHIITDRLKEGAMDCFKRHGGDEELLDLVLVPGAYELPLILDKLLESGKYDGVCVLGAIIRGGTPHFDYVSAEATKGIASAMLKYSMPVSFGVLTTDNIEQAIERAGSKAGNKGFEAMSTLIELLSLCQTLKD
Complex: RLP_E_15(1NQX) / Model_21(1NQX/E) = [4.9] Download1228.2619.12MQIIEGKLQLQGNEKIAILTSRFNHIITDRLKEGAMDCFKRHGGDEELLDLVLVPGAYELPLILDKLLESGKYDGVCVLGAIIRGGTPHFDYVSAEATKGIASAMLKYSMPVSFGVLTTDNIEQAIERAGSKAGNKGFEAMSTLIELLSLCQTLKD
Complex: RLP_A_11(1NQX) / Model_5(1NQX/A) = [5.0] Download1030.8119.12MQIIEGKLQLQGNEKIAILTSRFNHIITDRLKEGAMDCFKRHGGDEELLDLVLVPGAYELPLILDKLLESGKYDGVCVLGAIIRGGTPHFDYVSAEATKGIASAMLKYSMPVSFGVLTTDNIEQAIERAGSKAGNKGFEAMSTLIELLSLCQTLKD
Consensus
[pKd Mean = 4.90]
-1154
(s=111)
19
(s=0)
MQIIEGKLQLQGNEKIAILTSRFNHIITDRLKEGAMDCFKRHGGDEELLDLVLVPGAYELPLILDKLLESGKYDGVCVLGAIIRGGTPHFDYVSAEATKGIASAMLKYSMPVSFGVLTTDNIEQAIERAGSKAGNKGFEAMSTLIELLSLCQTLKD