Study : Wbm0580 (atomeDB@cbs.cnrs.fr)


Main Binding Site Prediction:


Binding Site Prediction

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Binding Site Number :C5_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 C5_S1
Complex: FMT_B_2(1Z8F) / Model_15(1Z8F/A) = [3.4] Download216.9712.70MAVENEGVLLVLSSPSGAGKTTILERLLERSTNLVRSVSMTTRKPRPGEINGKDYFFVTKKEFHELCEAGQMLEYARVFENFYGIPKSFIEQNLSSGISVLLSIDWQGAFHLFELMREKVISVFILPPSMEELRLRLQKRNSDSASEIEHRLAEAQKEMSKRDKYDYVVINDDIDKSVEEISSILDKERLKRSGV
Complex: LGP_G_7(2F3T) / Model_5(2F3T/A) = [3.4] Download1219.3518.10MAVENEGVLLVLSSPSGAGKTTILERLLERSTNLVRSVSMTTRKPRPGEINGKDYFFVTKKEFHELCEAGQMLEYARVFENFYGIPKSFIEQNLSSGISVLLSIDWQGAFHLFELMREKVISVFILPPSMEELRLRLQKRNSDSASEIEHRLAEAQKEMSKRDKYDYVVINDDIDKSVEEISSILDKERLKRSGV
Complex: FMT_A_3(1S4Q) / Model_10(1S4Q/A) = [3.5] Download303.7313.22MAVENEGVLLVLSSPSGAGKTTILERLLERSTNLVRSVSMTTRKPRPGEINGKDYFFVTKKEFHELCEAGQMLEYARVFENFYGIPKSFIEQNLSSGISVLLSIDWQGAFHLFELMREKVISVFILPPSMEELRLRLQKRNSDSASEIEHRLAEAQKEMSKRDKYDYVVINDDIDKSVEEISSILDKERLKRSGV
Complex: LGP_G_7(2F3T) / Model_23(2F3T/B) = [3.5] Download1073.3416.15MAVENEGVLLVLSSPSGAGKTTILERLLERSTNLVRSVSMTTRKPRPGEINGKDYFFVTKKEFHELCEAGQMLEYARVFENFYGIPKSFIEQNLSSGISVLLSIDWQGAFHLFELMREKVISVFILPPSMEELRLRLQKRNSDSASEIEHRLAEAQKEMSKRDKYDYVVINDDIDKSVEEISSILDKERLKRSGV
Complex: LGP_G_7(2F3T) / Model_22(2F3T/E) = [3.8] Download1243.6910.33MAVENEGVLLVLSSPSGAGKTTILERLLERSTNLVRSVSMTTRKPRPGEINGKDYFFVTKKEFHELCEAGQMLEYARVFENFYGIPKSFIEQNLSSGISVLLSIDWQGAFHLFELMREKVISVFILPPSMEELRLRLQKRNSDSASEIEHRLAEAQKEMSKRDKYDYVVINDDIDKSVEEISSILDKERLKRSGV
Consensus
[pKd Mean = 3.52]
-811
(s=454)
14
(s=2)
MAVENEGVLLVLSSPSGAGKTTILERLLERSTNLVRSVSMTTRKPRPGEINGKDYFFVTKKEFHELCEAGQMLEYARVFENFYGIPKSFIEQNLSSGISVLLSIDWQGAFHLFELMREKVISVFILPPSMEELRLRLQKRNSDSASEIEHRLAEAQKEMSKRDKYDYVVINDDIDKSVEEISSILDKERLKRSGV