Study : jhp_0790 (atomeDB@cbs.cnrs.fr)


Main Binding Site Prediction:


Binding Site Prediction

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Binding Site Number :C1_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 C1_S1
Complex: IMP_A_3(3USB) / Model_18(3USB/A) = [3.9] Download1355.899.71MKVFDYEDVQLIPNKCIVNSRSECDTTVILGKHAFKMPIVPANMQTIINESIAEFLAENGYFYIMHRFNGSARIPFVKKMKERQLISSISVGVKKEECLFVEELAKQGLTPDYITIDIAHGHSNSVIEMIQRIKTRLPETFVIAGNVGTPEAVRELENAGADATKVGIGPGKVCITKIKTGFGTGGWQLAALRWCAKAARKPIIADGGIRTHGDIAKSIRFGATMVMIGSLFAGHEESSGETKIENGIAYKEYFGSASEFQKGEKKNIEGKKIWIQHKGSLKNTLIEMHQDLQSSISYAGGRDLEAIRKVDYVIVKNSIFNGDTI
Complex: IMP_A_3(3USB) / Model_121(3USB/A) = [4.3] Download1325.6017.14MKVFDYEDVQLIPNKCIVNSRSECDTTVILGKHAFKMPIVPANMQTIINESIAEFLAENGYFYIMHRFNGSARIPFVKKMKERQLISSISVGVKKEECLFVEELAKQGLTPDYITIDIAHGHSNSVIEMIQRIKTRLPETFVIAGNVGTPEAVRELENAGADATKVGIGPGKVCITKIKTGFGTGGWQLAALRWCAKAARKPIIADGGIRTHGDIAKSIRFGATMVMIGSLFAGHEESSGETKIENGIAYKEYFGSASEFQKGEKKNIEGKKIWIQHKGSLKNTLIEMHQDLQSSISYAGGRDLEAIRKVDYVIVKNSIFNGDTI
Complex: IMP_B_6(4IX2) / Model_103(4IX2/B) = [4.6] Download823.3013.79MKVFDYEDVQLIPNKCIVNSRSECDTTVILGKHAFKMPIVPANMQTIINESIAEFLAENGYFYIMHRFNGSARIPFVKKMKERQLISSISVGVKKEECLFVEELAKQGLTPDYITIDIAHGHSNSVIEMIQRIKTRLPETFVIAGNVGTPEAVRELENAGADATKVGIGPGKVCITKIKTGFGTGGWQLAALRWCAKAARKPIIADGGIRTHGDIAKSIRFGATMVMIGSLFAGHEESSGETKIENGIAYKEYFGSASEFQKGEKKNIEGKKIWIQHKGSLKNTLIEMHQDLQSSISYAGGRDLEAIRKVDYVIVKNSIFNGDTI
Complex: XMP_A_3(3TSD) / Model_13(3TSD/A) = [4.9] Download1226.7814.36MKVFDYEDVQLIPNKCIVNSRSECDTTVILGKHAFKMPIVPANMQTIINESIAEFLAENGYFYIMHRFNGSARIPFVKKMKERQLISSISVGVKKEECLFVEELAKQGLTPDYITIDIAHGHSNSVIEMIQRIKTRLPETFVIAGNVGTPEAVRELENAGADATKVGIGPGKVCITKIKTGFGTGGWQLAALRWCAKAARKPIIADGGIRTHGDIAKSIRFGATMVMIGSLFAGHEESSGETKIENGIAYKEYFGSASEFQKGEKKNIEGKKIWIQHKGSLKNTLIEMHQDLQSSISYAGGRDLEAIRKVDYVIVKNSIFNGDTI
Complex: XMP_B_4(3TSD) / Model_62(3TSD/B) = [5.3] Download1049.0211.70MKVFDYEDVQLIPNKCIVNSRSECDTTVILGKHAFKMPIVPANMQTIINESIAEFLAENGYFYIMHRFNGSARIPFVKKMKERQLISSISVGVKKEECLFVEELAKQGLTPDYITIDIAHGHSNSVIEMIQRIKTRLPETFVIAGNVGTPEAVRELENAGADATKVGIGPGKVCITKIKTGFGTGGWQLAALRWCAKAARKPIIADGGIRTHGDIAKSIRFGATMVMIGSLFAGHEESSGETKIENGIAYKEYFGSASEFQKGEKKNIEGKKIWIQHKGSLKNTLIEMHQDLQSSISYAGGRDLEAIRKVDYVIVKNSIFNGDTI
Consensus
[pKd Mean = 4.60]
-1156
(s=197)
13
(s=2)
MKVFDYEDVQLIPNKCIVNSRSECDTTVILGKHAFKMPIVPANMQTIINESIAEFLAENGYFYIMHRFNGSARIPFVKKMKERQLISSISVGVKKEECLFVEELAKQGLTPDYITIDIAHGHSNSVIEMIQRIKTRLPETFVIAGNVGTPEAVRELENAGADATKVGIGPGKVCITKIKTGFGTGGWQLAALRWCAKAARKPIIADGGIRTHGDIAKSIRFGATMVMIGSLFAGHEESSGETKIENGIAYKEYFGSASEFQKGEKKNIEGKKIWIQHKGSLKNTLIEMHQDLQSSISYAGGRDLEAIRKVDYVIVKNSIFNGDTI