Study : PA3588 (atomeDB@cbs.cnrs.fr)


Main Binding Site Prediction:


Binding Site Prediction

Download fasta file
Download text file


Binding Site Number :C10_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 C10_S1
Complex: C8E_A_16(2Y2X) / Model_13(2Y2X/A) = [3.3] Download627.9819.00MNNNKKCAFFLLPILAGDSVPALAEGFLEDSRASLALRNFYMNRDFRDGAGRAKSEEWAQGFLFDYRSGYTEGTLGVGLDLLGKLGVRLDSGAGRSGTGLLPLRDDGSAAGDYARLDATAKLRLSRSELKVGGLVPKLPTIQPNYGRLFPQVFQGALLTSGELSGLSLNLGRLTEVSQRNEAGTSDLALFNRNRRFAGAAQADRFDLAGLDYRIAPDWTGSYHYGELEQVYAQHFLGLKGRIGIAADSLESDLRLALSRDTGGARGGRIDNRSFSGSLTYRLRNGQAFGLGYQRMSGDHGFPYLEGTDPYLVNFGQYNDFAEAGESSWQLRYDCDFAPLGVPGLSLMTRYFSGHGAKPKGADGSREWERDSDLRYVLQGGALKGLGLVWRNATYRSAFSRDIDENRLYLTYELPLF
Complex: C8E_A_16(3SYS) / Model_14(3SYS/A) = [3.5] Download745.0419.00MNNNKKCAFFLLPILAGDSVPALAEGFLEDSRASLALRNFYMNRDFRDGAGRAKSEEWAQGFLFDYRSGYTEGTLGVGLDLLGKLGVRLDSGAGRSGTGLLPLRDDGSAAGDYARLDATAKLRLSRSELKVGGLVPKLPTIQPNYGRLFPQVFQGALLTSGELSGLSLNLGRLTEVSQRNEAGTSDLALFNRNRRFAGAAQADRFDLAGLDYRIAPDWTGSYHYGELEQVYAQHFLGLKGRIGIAADSLESDLRLALSRDTGGARGGRIDNRSFSGSLTYRLRNGQAFGLGYQRMSGDHGFPYLEGTDPYLVNFGQYNDFAEAGESSWQLRYDCDFAPLGVPGLSLMTRYFSGHGAKPKGADGSREWERDSDLRYVLQGGALKGLGLVWRNATYRSAFSRDIDENRLYLTYELPLF
Complex: C8E_B_24(3SYS) / Model_26(3SYS/B) = [3.6] Download328.1836.30MNNNKKCAFFLLPILAGDSVPALAEGFLEDSRASLALRNFYMNRDFRDGAGRAKSEEWAQGFLFDYRSGYTEGTLGVGLDLLGKLGVRLDSGAGRSGTGLLPLRDDGSAAGDYARLDATAKLRLSRSELKVGGLVPKLPTIQPNYGRLFPQVFQGALLTSGELSGLSLNLGRLTEVSQRNEAGTSDLALFNRNRRFAGAAQADRFDLAGLDYRIAPDWTGSYHYGELEQVYAQHFLGLKGRIGIAADSLESDLRLALSRDTGGARGGRIDNRSFSGSLTYRLRNGQAFGLGYQRMSGDHGFPYLEGTDPYLVNFGQYNDFAEAGESSWQLRYDCDFAPLGVPGLSLMTRYFSGHGAKPKGADGSREWERDSDLRYVLQGGALKGLGLVWRNATYRSAFSRDIDENRLYLTYELPLF
Complex: C8E_B_24(2Y2X) / Model_24(2Y2X/B) = [3.6] Download497.5336.30MNNNKKCAFFLLPILAGDSVPALAEGFLEDSRASLALRNFYMNRDFRDGAGRAKSEEWAQGFLFDYRSGYTEGTLGVGLDLLGKLGVRLDSGAGRSGTGLLPLRDDGSAAGDYARLDATAKLRLSRSELKVGGLVPKLPTIQPNYGRLFPQVFQGALLTSGELSGLSLNLGRLTEVSQRNEAGTSDLALFNRNRRFAGAAQADRFDLAGLDYRIAPDWTGSYHYGELEQVYAQHFLGLKGRIGIAADSLESDLRLALSRDTGGARGGRIDNRSFSGSLTYRLRNGQAFGLGYQRMSGDHGFPYLEGTDPYLVNFGQYNDFAEAGESSWQLRYDCDFAPLGVPGLSLMTRYFSGHGAKPKGADGSREWERDSDLRYVLQGGALKGLGLVWRNATYRSAFSRDIDENRLYLTYELPLF
Complex: C8E_B_9(4FMS) / Model_16(4FMS/B) = [3.8] Download750.4768.17MNNNKKCAFFLLPILAGDSVPALAEGFLEDSRASLALRNFYMNRDFRDGAGRAKSEEWAQGFLFDYRSGYTEGTLGVGLDLLGKLGVRLDSGAGRSGTGLLPLRDDGSAAGDYARLDATAKLRLSRSELKVGGLVPKLPTIQPNYGRLFPQVFQGALLTSGELSGLSLNLGRLTEVSQRNEAGTSDLALFNRNRRFAGAAQADRFDLAGLDYRIAPDWTGSYHYGELEQVYAQHFLGLKGRIGIAADSLESDLRLALSRDTGGARGGRIDNRSFSGSLTYRLRNGQAFGLGYQRMSGDHGFPYLEGTDPYLVNFGQYNDFAEAGESSWQLRYDCDFAPLGVPGLSLMTRYFSGHGAKPKGADGSREWERDSDLRYVLQGGALKGLGLVWRNATYRSAFSRDIDENRLYLTYELPLF
Consensus
[pKd Mean = 3.56]
-589
(s=160)
35
(s=17)
MNNNKKCAFFLLPILAGDSVPALAEGFLEDSRASLALRNFYMNRDFRDGAGRAKSEEWAQGFLFDYRSGYTEGTLGVGLDLLGKLGVRLDSGAGRSGTGLLPLRDDGSAAGDYARLDATAKLRLSRSELKVGGLVPKLPTIQPNYGRLFPQVFQGALLTSGELSGLSLNLGRLTEVSQRNEAGTSDLALFNRNRRFAGAAQADRFDLAGLDYRIAPDWTGSYHYGELEQVYAQHFLGLKGRIGIAADSLESDLRLALSRDTGGARGGRIDNRSFSGSLTYRLRNGQAFGLGYQRMSGDHGFPYLEGTDPYLVNFGQYNDFAEAGESSWQLRYDCDFAPLGVPGLSLMTRYFSGHGAKPKGADGSREWERDSDLRYVLQGGALKGLGLVWRNATYRSAFSRDIDENRLYLTYELPLF