Study : N9AF92_9GAMM (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] : 2 (5 maxi)

Complexes [Theoretical pKd]FileVolume (A3)
(FPocket)
Hydrophobicity
Score(FPocket)
Contacts Ligand/Receptor [<4A] in Site C2_S1
Complex: BEZ_A_2(6EF6) / Model_1(6EF6/A) = [3.3] Download370.6428.84MTVEQNEFLSSVQLQILAEQAIKQYPNEYQGSVKLLCQSENATFLVTTAQAKYALRIHRPNYHHLQDIESELAWLDALNQSGIEVPLAIADQDGQRVITLKLAEGISRYAVLFNWVNGSMPTTDVDPTAFQQLGQITAALHQHSKSWKRPEQFNRIVWNHDTMVGAQGHWGNWKHAPHLDQADHAVVEEAIARISTELCQYGAGEDRYGLIHADLRLTNLLLQDQQIGVIDFDDCGMSWFMHDLAAAISFNEHLDAAPQWVEHWLTGYEKTGHVQNHDYVMIPTFIMQRRIQMMAWNGSHAHTEMALSLGDQWSNETVRLCKKYLNGEMPVGRSNA
Complex: BEZ_A_2(6EF6) / Model_23(6EF6/A) = [3.3] Download348.0432.82MTVEQNEFLSSVQLQILAEQAIKQYPNEYQGSVKLLCQSENATFLVTTAQAKYALRIHRPNYHHLQDIESELAWLDALNQSGIEVPLAIADQDGQRVITLKLAEGISRYAVLFNWVNGSMPTTDVDPTAFQQLGQITAALHQHSKSWKRPEQFNRIVWNHDTMVGAQGHWGNWKHAPHLDQADHAVVEEAIARISTELCQYGAGEDRYGLIHADLRLTNLLLQDQQIGVIDFDDCGMSWFMHDLAAAISFNEHLDAAPQWVEHWLTGYEKTGHVQNHDYVMIPTFIMQRRIQMMAWNGSHAHTEMALSLGDQWSNETVRLCKKYLNGEMPVGRSNA
Consensus
[pKd Mean = 3.30]
-359
(s=11)
30
(s=2)
MTVEQNEFLSSVQLQILAEQAIKQYPNEYQGSVKLLCQSENATFLVTTAQAKYALRIHRPNYHHLQDIESELAWLDALNQSGIEVPLAIADQDGQRVITLKLAEGISRYAVLFNWVNGSMPTTDVDPTAFQQLGQITAALHQHSKSWKRPEQFNRIVWNHDTMVGAQGHWGNWKHAPHLDQADHAVVEEAIARISTELCQYGAGEDRYGLIHADLRLTNLLLQDQQIGVIDFDDCGMSWFMHDLAAAISFNEHLDAAPQWVEHWLTGYEKTGHVQNHDYVMIPTFIMQRRIQMMAWNGSHAHTEMALSLGDQWSNETVRLCKKYLNGEMPVGRSNA