Study : Wbm0741 (atomeDB@cbs.cnrs.fr)


Main Binding Site Prediction:


Binding Site Prediction

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Binding Site Number :C12_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 C12_S1
Complex: DU_A_5(4KAT) / Model_45(4KAT/D) = [3.2] Download1015.0521.00MNEERYSTKRITVKEIDEILYEEHRVLDHGFIRVVDYMGSDSAIVQAARVSYGKGTKQINQDEVLIKYLMRYHHTTPFEMCEIKFHVKLPIFIARQWIRHRTANVNEYSARYSILDHEFYIPEPEQVAKQSDNNKQGSGEAFDLDISKEIIDSLINDSNLVYSHYNKFIEQGLTREIARTNLTLNYYTQFYWKVDLHNLLHFLKLRADKRAQHEIRVYAEVILDIVKKWVPLVHSAFVEYCLESACISRTGLGIIRKLIRGENVTREESNIGKREWEELMFILDKQPER
Complex: DU_D_12(4KAT) / Model_14(4KAT/A) = [3.3] Download815.9821.00MNEERYSTKRITVKEIDEILYEEHRVLDHGFIRVVDYMGSDSAIVQAARVSYGKGTKQINQDEVLIKYLMRYHHTTPFEMCEIKFHVKLPIFIARQWIRHRTANVNEYSARYSILDHEFYIPEPEQVAKQSDNNKQGSGEAFDLDISKEIIDSLINDSNLVYSHYNKFIEQGLTREIARTNLTLNYYTQFYWKVDLHNLLHFLKLRADKRAQHEIRVYAEVILDIVKKWVPLVHSAFVEYCLESACISRTGLGIIRKLIRGENVTREESNIGKREWEELMFILDKQPER
Complex: UFP_L_12(1O29) / Model_27(1O29/D) = [3.5] Download923.1917.46MNEERYSTKRITVKEIDEILYEEHRVLDHGFIRVVDYMGSDSAIVQAARVSYGKGTKQINQDEVLIKYLMRYHHTTPFEMCEIKFHVKLPIFIARQWIRHRTANVNEYSARYSILDHEFYIPEPEQVAKQSDNNKQGSGEAFDLDISKEIIDSLINDSNLVYSHYNKFIEQGLTREIARTNLTLNYYTQFYWKVDLHNLLHFLKLRADKRAQHEIRVYAEVILDIVKKWVPLVHSAFVEYCLESACISRTGLGIIRKLIRGENVTREESNIGKREWEELMFILDKQPER
Complex: BRU_D_12(1O27) / Model_4(1O27/A) = [3.5] Download1039.7927.64MNEERYSTKRITVKEIDEILYEEHRVLDHGFIRVVDYMGSDSAIVQAARVSYGKGTKQINQDEVLIKYLMRYHHTTPFEMCEIKFHVKLPIFIARQWIRHRTANVNEYSARYSILDHEFYIPEPEQVAKQSDNNKQGSGEAFDLDISKEIIDSLINDSNLVYSHYNKFIEQGLTREIARTNLTLNYYTQFYWKVDLHNLLHFLKLRADKRAQHEIRVYAEVILDIVKKWVPLVHSAFVEYCLESACISRTGLGIIRKLIRGENVTREESNIGKREWEELMFILDKQPER
Complex: UMP_A_3(4GTF) / Model_19(4GTF/A) = [3.6] Download838.8617.46MNEERYSTKRITVKEIDEILYEEHRVLDHGFIRVVDYMGSDSAIVQAARVSYGKGTKQINQDEVLIKYLMRYHHTTPFEMCEIKFHVKLPIFIARQWIRHRTANVNEYSARYSILDHEFYIPEPEQVAKQSDNNKQGSGEAFDLDISKEIIDSLINDSNLVYSHYNKFIEQGLTREIARTNLTLNYYTQFYWKVDLHNLLHFLKLRADKRAQHEIRVYAEVILDIVKKWVPLVHSAFVEYCLESACISRTGLGIIRKLIRGENVTREESNIGKREWEELMFILDKQPER
Consensus
[pKd Mean = 3.42]
-926
(s=90)
20
(s=3)
MNEERYSTKRITVKEIDEILYEEHRVLDHGFIRVVDYMGSDSAIVQAARVSYGKGTKQINQDEVLIKYLMRYHHTTPFEMCEIKFHVKLPIFIARQWIRHRTANVNEYSARYSILDHEFYIPEPEQVAKQSDNNKQGSGEAFDLDISKEIIDSLINDSNLVYSHYNKFIEQGLTREIARTNLTLNYYTQFYWKVDLHNLLHFLKLRADKRAQHEIRVYAEVILDIVKKWVPLVHSAFVEYCLESACISRTGLGIIRKLIRGENVTREESNIGKREWEELMFILDKQPER