Study : Wbm0252 (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] : 5 (5 maxi)

Complexes [Theoretical pKd]FileVolume (A3)
(FPocket)
Hydrophobicity
Score(FPocket)
Contacts Ligand/Receptor [<4A] in Site C2_S1
Complex: ADE_A_5(1HQC) / Model_10(1HQC/A) = [3.9] Download486.2216.87MRSISCSKEYAEDVRNLNIRPEQLDDFFGQKDLIQNLKVFINAAKTRTEALDHVLLHGPPGLGKTTLAQIISKELRVSFRATSGPLLNKAGDLAAVLTTLNAKDVLFIDEIHRLNRSIEEVLYTAMEDFCLDLLVGEGPSTRTLRIDLPPFTLVGATTRLGLLSAPLRDRFGIPLRLEFYSFEELVDIIKRGTKVFSAEIEEDAIQEIACRARGTPRIALRLLRRIRDFVEVKDNKKITHKIADSALSKLGIDKMGLNKLDVDYLRFLFNTSGSVGIDTISIALSEDSGNIEETVEPYLVKISFVKRTPRGRVLTDQGKEYLSLQY
Complex: ADE_A_5(1HQC) / Model_114(1HQC/A) = [3.9] Download461.2116.87MRSISCSKEYAEDVRNLNIRPEQLDDFFGQKDLIQNLKVFINAAKTRTEALDHVLLHGPPGLGKTTLAQIISKELRVSFRATSGPLLNKAGDLAAVLTTLNAKDVLFIDEIHRLNRSIEEVLYTAMEDFCLDLLVGEGPSTRTLRIDLPPFTLVGATTRLGLLSAPLRDRFGIPLRLEFYSFEELVDIIKRGTKVFSAEIEEDAIQEIACRARGTPRIALRLLRRIRDFVEVKDNKKITHKIADSALSKLGIDKMGLNKLDVDYLRFLFNTSGSVGIDTISIALSEDSGNIEETVEPYLVKISFVKRTPRGRVLTDQGKEYLSLQY
Complex: ADE_A_5(1HQC) / Model_103(1HQC/A) = [3.9] Download457.6816.87MRSISCSKEYAEDVRNLNIRPEQLDDFFGQKDLIQNLKVFINAAKTRTEALDHVLLHGPPGLGKTTLAQIISKELRVSFRATSGPLLNKAGDLAAVLTTLNAKDVLFIDEIHRLNRSIEEVLYTAMEDFCLDLLVGEGPSTRTLRIDLPPFTLVGATTRLGLLSAPLRDRFGIPLRLEFYSFEELVDIIKRGTKVFSAEIEEDAIQEIACRARGTPRIALRLLRRIRDFVEVKDNKKITHKIADSALSKLGIDKMGLNKLDVDYLRFLFNTSGSVGIDTISIALSEDSGNIEETVEPYLVKISFVKRTPRGRVLTDQGKEYLSLQY
Complex: ADE_B_6(1HQC) / Model_21(1HQC/B) = [4.0] Download406.9223.83MRSISCSKEYAEDVRNLNIRPEQLDDFFGQKDLIQNLKVFINAAKTRTEALDHVLLHGPPGLGKTTLAQIISKELRVSFRATSGPLLNKAGDLAAVLTTLNAKDVLFIDEIHRLNRSIEEVLYTAMEDFCLDLLVGEGPSTRTLRIDLPPFTLVGATTRLGLLSAPLRDRFGIPLRLEFYSFEELVDIIKRGTKVFSAEIEEDAIQEIACRARGTPRIALRLLRRIRDFVEVKDNKKITHKIADSALSKLGIDKMGLNKLDVDYLRFLFNTSGSVGIDTISIALSEDSGNIEETVEPYLVKISFVKRTPRGRVLTDQGKEYLSLQY
Complex: ANP_C_3(1IXS) / Model_9(1IXS/B) = [5.0] Download1267.0022.72MRSISCSKEYAEDVRNLNIRPEQLDDFFGQKDLIQNLKVFINAAKTRTEALDHVLLHGPPGLGKTTLAQIISKELRVSFRATSGPLLNKAGDLAAVLTTLNAKDVLFIDEIHRLNRSIEEVLYTAMEDFCLDLLVGEGPSTRTLRIDLPPFTLVGATTRLGLLSAPLRDRFGIPLRLEFYSFEELVDIIKRGTKVFSAEIEEDAIQEIACRARGTPRIALRLLRRIRDFVEVKDNKKITHKIADSALSKLGIDKMGLNKLDVDYLRFLFNTSGSVGIDTISIALSEDSGNIEETVEPYLVKISFVKRTPRGRVLTDQGKEYLSLQY
Consensus
[pKd Mean = 4.14]
-615
(s=326)
19
(s=3)
MRSISCSKEYAEDVRNLNIRPEQLDDFFGQKDLIQNLKVFINAAKTRTEALDHVLLHGPPGLGKTTLAQIISKELRVSFRATSGPLLNKAGDLAAVLTTLNAKDVLFIDEIHRLNRSIEEVLYTAMEDFCLDLLVGEGPSTRTLRIDLPPFTLVGATTRLGLLSAPLRDRFGIPLRLEFYSFEELVDIIKRGTKVFSAEIEEDAIQEIACRARGTPRIALRLLRRIRDFVEVKDNKKITHKIADSALSKLGIDKMGLNKLDVDYLRFLFNTSGSVGIDTISIALSEDSGNIEETVEPYLVKISFVKRTPRGRVLTDQGKEYLSLQY