Study : PA0175 (atomeDB@cbs.cnrs.fr)


Main Binding Site Prediction:


Binding Site Prediction

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Binding Site Number :C5_S1
Best Complexes choosen after comparative docking [pKd > 3] : 3 (5 maxi)

Complexes [Theoretical pKd]FileVolume (A3)
(FPocket)
Hydrophobicity
Score(FPocket)
Contacts Ligand/Receptor [<4A] in Site C5_S1
Complex: SAH_B_2(1AF7) / Model_10(1AF7/A) = [7.6] Download536.1017.78MPTSTPSPVFGNQEFHYTREDFQQVRERLYRLTGISLAESKAQLVYSRLSRRLRLLRLGSFAEYFTHLDREPGEQQLFVNALTTNLTAFFRERHHFPLLADLARRQLQRHRPLRIWSAAASTGEEPYSIAITLVEALGSFDPPVKIVASDIDTGVLDCARQGVYPLERLEQMPAPLKKRFFLRGTGPNAGKARVVEELRQLVEFRQINLLEADWSIAGELDAIFCRNVMIYFDKPTQTRLLERMVALLRPEGLFFAGHSENFVHASHLVRSVGQTVYSPA
Complex: SAH_B_2(1AF7) / Model_1(1AF7/A) = [7.6] Download515.6917.78MPTSTPSPVFGNQEFHYTREDFQQVRERLYRLTGISLAESKAQLVYSRLSRRLRLLRLGSFAEYFTHLDREPGEQQLFVNALTTNLTAFFRERHHFPLLADLARRQLQRHRPLRIWSAAASTGEEPYSIAITLVEALGSFDPPVKIVASDIDTGVLDCARQGVYPLERLEQMPAPLKKRFFLRGTGPNAGKARVVEELRQLVEFRQINLLEADWSIAGELDAIFCRNVMIYFDKPTQTRLLERMVALLRPEGLFFAGHSENFVHASHLVRSVGQTVYSPA
Complex: SAH_A_4(1BC5) / Model_2(1BC5/A) = [7.9] Download640.8617.61MPTSTPSPVFGNQEFHYTREDFQQVRERLYRLTGISLAESKAQLVYSRLSRRLRLLRLGSFAEYFTHLDREPGEQQLFVNALTTNLTAFFRERHHFPLLADLARRQLQRHRPLRIWSAAASTGEEPYSIAITLVEALGSFDPPVKIVASDIDTGVLDCARQGVYPLERLEQMPAPLKKRFFLRGTGPNAGKARVVEELRQLVEFRQINLLEADWSIAGELDAIFCRNVMIYFDKPTQTRLLERMVALLRPEGLFFAGHSENFVHASHLVRSVGQTVYSPA
Consensus
[pKd Mean = 7.70]
-564
(s=54)
17
(s=0)
MPTSTPSPVFGNQEFHYTREDFQQVRERLYRLTGISLAESKAQLVYSRLSRRLRLLRLGSFAEYFTHLDREPGEQQLFVNALTTNLTAFFRERHHFPLLADLARRQLQRHRPLRIWSAAASTGEEPYSIAITLVEALGSFDPPVKIVASDIDTGVLDCARQGVYPLERLEQMPAPLKKRFFLRGTGPNAGKARVVEELRQLVEFRQINLLEADWSIAGELDAIFCRNVMIYFDKPTQTRLLERMVALLRPEGLFFAGHSENFVHASHLVRSVGQTVYSPA