Study : PA3352 (atomeDB@cbs.cnrs.fr)


Main Binding Site Prediction:


Binding Site Prediction

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Binding Site Number :C3_S1
Best Complexes choosen after comparative docking [pKd > 3] : 2 (5 maxi)

Complexes [Theoretical pKd]FileVolume (A3)
(FPocket)
Hydrophobicity
Score(FPocket)
Contacts Ligand/Receptor [<4A] in Site C3_S1
Complex: MPD_A_2(2FUP) / Model_1(2FUP/A) = [3.3] Download662.8335.20MPDSPTLLDLFAEDIGHANQLLQLVDEEFQALERRELPVLQQLLGAKQPLMQQLERNGRARAEILREAGVSLDREGLARYARERADGAELLARGDELGELLERCQQANLRNGRIIRANQASTGSLLNILRGQDAPSLYDSRGGTASSSRQRPLSQA
Complex: MPD_A_2(2FUP) / Model_4(2FUP/A) = [3.3] Download632.1635.20MPDSPTLLDLFAEDIGHANQLLQLVDEEFQALERRELPVLQQLLGAKQPLMQQLERNGRARAEILREAGVSLDREGLARYARERADGAELLARGDELGELLERCQQANLRNGRIIRANQASTGSLLNILRGQDAPSLYDSRGGTASSSRQRPLSQA
Consensus
[pKd Mean = 3.30]
-647
(s=15)
35
(s=0)
MPDSPTLLDLFAEDIGHANQLLQLVDEEFQALERRELPVLQQLLGAKQPLMQQLERNGRARAEILREAGVSLDREGLARYARERADGAELLARGDELGELLERCQQANLRNGRIIRANQASTGSLLNILRGQDAPSLYDSRGGTASSSRQRPLSQA