Study : PA2475 (atomeDB@cbs.cnrs.fr)


Main Binding Site Prediction:


Binding Site Prediction

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Binding Site Number :C6_S1
Best Complexes choosen after comparative docking [pKd > 3] : 1 (5 maxi)

Complexes [Theoretical pKd]FileVolume (A3)
(FPocket)
Hydrophobicity
Score(FPocket)
Contacts Ligand/Receptor [<4A] in Site C6_S1
Complex: GOL_A_8(3MGX) / Model_135(3MGX/A) = [3.1] Download338.6827.50MDDAFSEEGSAQPRHDAQRPALAPRSDGFDIHTYHPDFVADPYPLLRLIRSRAPVCRDQASIWWISRYADVSACLRDRRFSADPARLGAAGVRQGGASWFGHQQLQPLARFYDNFMLFNDAPRHTRLRRLFAPAFGPDAVRRWEARIEVLVEELLDSLLERREPDLLRDFAEPLTIRVAAELFGFPREDTGQLLPWGRDLAAGLDLAASHGDAGQINRSAVAFSDYLQRQARGWSDGSSRPPSGAAPSILDGAAMLEAGLGLEDLVAAYAMVFMAAFETTISMVGNATLALLTHPDQLDLLRRCPELAANAVEELLRFDGAVRGGVRCTLEEVEIGGQRIPPGEKVWLSFLAANRDPEMFAAPDRLQLQRANAKQHVAFAHGPHYCLGAYLARLELQCALRGLVRRRFALASEPTDLRWRRSSVFRTLERLPIVPEGDAQKTCE
Consensus
[pKd Mean = 3.10]
-338
(s=0)
27
(s=0)
MDDAFSEEGSAQPRHDAQRPALAPRSDGFDIHTYHPDFVADPYPLLRLIRSRAPVCRDQASIWWISRYADVSACLRDRRFSADPARLGAAGVRQGGASWFGHQQLQPLARFYDNFMLFNDAPRHTRLRRLFAPAFGPDAVRRWEARIEVLVEELLDSLLERREPDLLRDFAEPLTIRVAAELFGFPREDTGQLLPWGRDLAAGLDLAASHGDAGQINRSAVAFSDYLQRQARGWSDGSSRPPSGAAPSILDGAAMLEAGLGLEDLVAAYAMVFMAAFETTISMVGNATLALLTHPDQLDLLRRCPELAANAVEELLRFDGAVRGGVRCTLEEVEIGGQRIPPGEKVWLSFLAANRDPEMFAAPDRLQLQRANAKQHVAFAHGPHYCLGAYLARLELQCALRGLVRRRFALASEPTDLRWRRSSVFRTLERLPIVPEGDAQKTCE