Study : PA5129 (atomeDB@cbs.cnrs.fr)


Main Binding Site Prediction:


Binding Site Prediction

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Binding Site Number :C1_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 C1_S1
Complex: GDS_B_6(4TR0) / Model_21(4TR0/B) = [3.9] Download1238.8521.60MPPVVIYTTAWCPYCIRAKQLLQRKGVDFQEIACDGKPELRAELARKAGSTTVPQIWIGETHVGGCDDLHALERAGKLDALLSA
Complex: GDS_A_4(4TR0) / Model_22(4TR0/A) = [4.1] Download1711.7717.38MPPVVIYTTAWCPYCIRAKQLLQRKGVDFQEIACDGKPELRAELARKAGSTTVPQIWIGETHVGGCDDLHALERAGKLDALLSA
Consensus
[pKd Mean = 4.00]
-1475
(s=236)
19
(s=2)
MPPVVIYTTAWCPYCIRAKQLLQRKGVDFQEIACDGKPELRAELARKAGSTTVPQIWIGETHVGGCDDLHALERAGKLDALLSA