Study : bsu29590 (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: PLP_A_4(4EB7) / Model_7(4EB7/A) = [3.1] Download838.271.67MIYLDNSSTTKPYDEVLNVYEQTSSRYFGNPSSLHRYGAETEQLLQAAKNQIKRSLGLKKYDIVFTSGATEANNAALKGAALSKIKTGKHIIATSIEHPSVTESLEQLKELFGFDITYLSVNEDGFVSIEDLKAAIRPDTVLVSMMHVNNEVGSVQPIEAAGEVLKEHSNILFHVDYVQGIYKVPLAIEKAGIDLCSISGHKFHGLKGTGALIVKEGTRLIPLITGGSQQKGIRAGTEHTAGAVSLAKAINLASADFDTRLDTMTAVKELFMNRLSEIEGVVINTPQMNSAPHIINFSVPGIKAEVLLHMLEEQDIFVSTTSACSAKEHKPSKVLLEMGKGEQIAGSSIRISLNYSQTSDVAEPFMNALRPGIKKLREMMR
Complex: PLP_B_9(4EB5) / Model_24(4EB5/B) = [3.2] Download832.691.74MIYLDNSSTTKPYDEVLNVYEQTSSRYFGNPSSLHRYGAETEQLLQAAKNQIKRSLGLKKYDIVFTSGATEANNAALKGAALSKIKTGKHIIATSIEHPSVTESLEQLKELFGFDITYLSVNEDGFVSIEDLKAAIRPDTVLVSMMHVNNEVGSVQPIEAAGEVLKEHSNILFHVDYVQGIYKVPLAIEKAGIDLCSISGHKFHGLKGTGALIVKEGTRLIPLITGGSQQKGIRAGTEHTAGAVSLAKAINLASADFDTRLDTMTAVKELFMNRLSEIEGVVINTPQMNSAPHIINFSVPGIKAEVLLHMLEEQDIFVSTTSACSAKEHKPSKVLLEMGKGEQIAGSSIRISLNYSQTSDVAEPFMNALRPGIKKLREMMR
Complex: PLP_A_3(3A9X) / Model_11(3A9X/A) = [3.4] Download502.488.77MIYLDNSSTTKPYDEVLNVYEQTSSRYFGNPSSLHRYGAETEQLLQAAKNQIKRSLGLKKYDIVFTSGATEANNAALKGAALSKIKTGKHIIATSIEHPSVTESLEQLKELFGFDITYLSVNEDGFVSIEDLKAAIRPDTVLVSMMHVNNEVGSVQPIEAAGEVLKEHSNILFHVDYVQGIYKVPLAIEKAGIDLCSISGHKFHGLKGTGALIVKEGTRLIPLITGGSQQKGIRAGTEHTAGAVSLAKAINLASADFDTRLDTMTAVKELFMNRLSEIEGVVINTPQMNSAPHIINFSVPGIKAEVLLHMLEEQDIFVSTTSACSAKEHKPSKVLLEMGKGEQIAGSSIRISLNYSQTSDVAEPFMNALRPGIKKLREMMR
Complex: PLP_A_3(3LVK) / Model_2(3LVK/A) = [3.4] Download386.6810.82MIYLDNSSTTKPYDEVLNVYEQTSSRYFGNPSSLHRYGAETEQLLQAAKNQIKRSLGLKKYDIVFTSGATEANNAALKGAALSKIKTGKHIIATSIEHPSVTESLEQLKELFGFDITYLSVNEDGFVSIEDLKAAIRPDTVLVSMMHVNNEVGSVQPIEAAGEVLKEHSNILFHVDYVQGIYKVPLAIEKAGIDLCSISGHKFHGLKGTGALIVKEGTRLIPLITGGSQQKGIRAGTEHTAGAVSLAKAINLASADFDTRLDTMTAVKELFMNRLSEIEGVVINTPQMNSAPHIINFSVPGIKAEVLLHMLEEQDIFVSTTSACSAKEHKPSKVLLEMGKGEQIAGSSIRISLNYSQTSDVAEPFMNALRPGIKKLREMMR
Complex: PLP_A_5(4EB5) / Model_6(4EB5/A) = [3.4] Download938.491.74MIYLDNSSTTKPYDEVLNVYEQTSSRYFGNPSSLHRYGAETEQLLQAAKNQIKRSLGLKKYDIVFTSGATEANNAALKGAALSKIKTGKHIIATSIEHPSVTESLEQLKELFGFDITYLSVNEDGFVSIEDLKAAIRPDTVLVSMMHVNNEVGSVQPIEAAGEVLKEHSNILFHVDYVQGIYKVPLAIEKAGIDLCSISGHKFHGLKGTGALIVKEGTRLIPLITGGSQQKGIRAGTEHTAGAVSLAKAINLASADFDTRLDTMTAVKELFMNRLSEIEGVVINTPQMNSAPHIINFSVPGIKAEVLLHMLEEQDIFVSTTSACSAKEHKPSKVLLEMGKGEQIAGSSIRISLNYSQTSDVAEPFMNALRPGIKKLREMMR
Consensus
[pKd Mean = 3.30]
-699
(s=214)
4
(s=4)
MIYLDNSSTTKPYDEVLNVYEQTSSRYFGNPSSLHRYGAETEQLLQAAKNQIKRSLGLKKYDIVFTSGATEANNAALKGAALSKIKTGKHIIATSIEHPSVTESLEQLKELFGFDITYLSVNEDGFVSIEDLKAAIRPDTVLVSMMHVNNEVGSVQPIEAAGEVLKEHSNILFHVDYVQGIYKVPLAIEKAGIDLCSISGHKFHGLKGTGALIVKEGTRLIPLITGGSQQKGIRAGTEHTAGAVSLAKAINLASADFDTRLDTMTAVKELFMNRLSEIEGVVINTPQMNSAPHIINFSVPGIKAEVLLHMLEEQDIFVSTTSACSAKEHKPSKVLLEMGKGEQIAGSSIRISLNYSQTSDVAEPFMNALRPGIKKLREMMR