Study : Wbm0620 (atomeDB@cbs.cnrs.fr)


Main Binding Site Prediction:


Binding Site Prediction

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Binding Site Number :C2_S1
Best Complexes choosen after comparative docking [pKd > 3] : 2 (5 maxi)

Complexes [Theoretical pKd]FileVolume (A3)
(FPocket)
Hydrophobicity
Score(FPocket)
Contacts Ligand/Receptor [<4A] in Site C2_S1
Complex: POP_A_6(2DTI) / Model_7(2DTI/A) = [3.2] Download723.7815.36MTPKTFEGFHIYHYEEVSSTNGKALDLIDRGISNETVIIADKQTEGRGRTGKNWISPEGNFYASFIINLLQITSLGSSITHWDSRLAVAAHLDVIPAHDAKIQCWNDRESLSKLTELTFVTALAVGNTLLSFINDSNVQYKWPNDIFVDGKKISGILLEKKSNSNWLVIGIGINIDHAPLLEATCINKLLSSSVVPVTDTKIQMQVPMSHARMILQNIYILKELVTNFNNLRKQWILDGFCAIREMWLKRAFKMNEQISVKFASKLHEGIFIDIDKGGRLVLQQKDGSLIYFDAGELFVNNIL
Complex: BTN_E_5(2DTH) / Model_6(2DTH/A) = [5.3] Download460.902.38MTPKTFEGFHIYHYEEVSSTNGKALDLIDRGISNETVIIADKQTEGRGRTGKNWISPEGNFYASFIINLLQITSLGSSITHWDSRLAVAAHLDVIPAHDAKIQCWNDRESLSKLTELTFVTALAVGNTLLSFINDSNVQYKWPNDIFVDGKKISGILLEKKSNSNWLVIGIGINIDHAPLLEATCINKLLSSSVVPVTDTKIQMQVPMSHARMILQNIYILKELVTNFNNLRKQWILDGFCAIREMWLKRAFKMNEQISVKFASKLHEGIFIDIDKGGRLVLQQKDGSLIYFDAGELFVNNIL
Consensus
[pKd Mean = 4.25]
-592
(s=131)
8
(s=6)
MTPKTFEGFHIYHYEEVSSTNGKALDLIDRGISNETVIIADKQTEGRGRTGKNWISPEGNFYASFIINLLQITSLGSSITHWDSRLAVAAHLDVIPAHDAKIQCWNDRESLSKLTELTFVTALAVGNTLLSFINDSNVQYKWPNDIFVDGKKISGILLEKKSNSNWLVIGIGINIDHAPLLEATCINKLLSSSVVPVTDTKIQMQVPMSHARMILQNIYILKELVTNFNNLRKQWILDGFCAIREMWLKRAFKMNEQISVKFASKLHEGIFIDIDKGGRLVLQQKDGSLIYFDAGELFVNNIL