Study : Wbm0520 (atomeDB@cbs.cnrs.fr)


Main Binding Site Prediction:


Binding Site Prediction

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Binding Site Number :C3_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 C3_S1
Complex: GDP_E_5(2FPG) / Model_13(2FPG/B) = [4.7] Download1209.4614.77MNIHEYQAKEILHKFNVPVPKGFVAMSAEEAETKINQLKSDVLVVKAQIHAGGRGKAGGVKLAKSAEEAQQFVKGMLGITLVTHQTGPNGQQVRRVYIEEGSSIKKEYYLSIVIDPKLSRPAFIFSSEGGMDIEEVAKNFPTKIVKLDIDYAADFASFDSRKLSNIFNLSPEQIEKITNVAKNIYDTFIATDANQIEINPLVETNSGDFIALDAKISFDDNALYRHPEIVELRDYDEEVKEEIEASKHGLSYIKMDGNIGCMVNGAGLAMATMDIIKYYGAEPANFLDVGGGASKETVTEAFKIILSDSNVKGILVNIFGGIMRCDIIASGIVEAAKGMSIKVPLVVRLSGTNFEKGKRILEESGLNIIAADELDEAAQKIVKEVE
Complex: GTP_B_5(2FP4) / Model_41(2FP4/B) = [6.1] Download1458.7114.33MNIHEYQAKEILHKFNVPVPKGFVAMSAEEAETKINQLKSDVLVVKAQIHAGGRGKAGGVKLAKSAEEAQQFVKGMLGITLVTHQTGPNGQQVRRVYIEEGSSIKKEYYLSIVIDPKLSRPAFIFSSEGGMDIEEVAKNFPTKIVKLDIDYAADFASFDSRKLSNIFNLSPEQIEKITNVAKNIYDTFIATDANQIEINPLVETNSGDFIALDAKISFDDNALYRHPEIVELRDYDEEVKEEIEASKHGLSYIKMDGNIGCMVNGAGLAMATMDIIKYYGAEPANFLDVGGGASKETVTEAFKIILSDSNVKGILVNIFGGIMRCDIIASGIVEAAKGMSIKVPLVVRLSGTNFEKGKRILEESGLNIIAADELDEAAQKIVKEVE
Complex: GTP_B_5(2FP4) / Model_12(2FP4/B) = [6.1] Download1399.3017.00MNIHEYQAKEILHKFNVPVPKGFVAMSAEEAETKINQLKSDVLVVKAQIHAGGRGKAGGVKLAKSAEEAQQFVKGMLGITLVTHQTGPNGQQVRRVYIEEGSSIKKEYYLSIVIDPKLSRPAFIFSSEGGMDIEEVAKNFPTKIVKLDIDYAADFASFDSRKLSNIFNLSPEQIEKITNVAKNIYDTFIATDANQIEINPLVETNSGDFIALDAKISFDDNALYRHPEIVELRDYDEEVKEEIEASKHGLSYIKMDGNIGCMVNGAGLAMATMDIIKYYGAEPANFLDVGGGASKETVTEAFKIILSDSNVKGILVNIFGGIMRCDIIASGIVEAAKGMSIKVPLVVRLSGTNFEKGKRILEESGLNIIAADELDEAAQKIVKEVE
Consensus
[pKd Mean = 5.63]
-1355
(s=106)
15
(s=1)
MNIHEYQAKEILHKFNVPVPKGFVAMSAEEAETKINQLKSDVLVVKAQIHAGGRGKAGGVKLAKSAEEAQQFVKGMLGITLVTHQTGPNGQQVRRVYIEEGSSIKKEYYLSIVIDPKLSRPAFIFSSEGGMDIEEVAKNFPTKIVKLDIDYAADFASFDSRKLSNIFNLSPEQIEKITNVAKNIYDTFIATDANQIEINPLVETNSGDFIALDAKISFDDNALYRHPEIVELRDYDEEVKEEIEASKHGLSYIKMDGNIGCMVNGAGLAMATMDIIKYYGAEPANFLDVGGGASKETVTEAFKIILSDSNVKGILVNIFGGIMRCDIIASGIVEAAKGMSIKVPLVVRLSGTNFEKGKRILEESGLNIIAADELDEAAQKIVKEVE