Study : Wbm0801 (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] : 5 (5 maxi)

Complexes [Theoretical pKd]FileVolume (A3)
(FPocket)
Hydrophobicity
Score(FPocket)
Contacts Ligand/Receptor [<4A] in Site C3_S1
Complex: COA_A_2(3LCJ) / Model_75(3LCJ/A) = [3.2] Download2395.0919.85MNINNRIGIYPGTFDPITFGHIDIIKRACKLVDRLIIGVAENINKHTTFDAKLRTSMAENEIKRLEIDVDVVSFNGLLVKFAKEQNASVIIRGLRAVSDFDYEFQMSWVNYKLLPEIETIFLPASEDTQFISSSFVKEIARLGESVSKFVSVGVQKELINLNRIGSE
Complex: PNS_A_5(3NBK) / Model_63(3NBK/A) = [3.3] Download1465.3526.40MNINNRIGIYPGTFDPITFGHIDIIKRACKLVDRLIIGVAENINKHTTFDAKLRTSMAENEIKRLEIDVDVVSFNGLLVKFAKEQNASVIIRGLRAVSDFDYEFQMSWVNYKLLPEIETIFLPASEDTQFISSSFVKEIARLGESVSKFVSVGVQKELINLNRIGSE
Complex: PNS_A_5(3NBK) / Model_111(3NBK/A) = [3.4] Download1547.1526.40MNINNRIGIYPGTFDPITFGHIDIIKRACKLVDRLIIGVAENINKHTTFDAKLRTSMAENEIKRLEIDVDVVSFNGLLVKFAKEQNASVIIRGLRAVSDFDYEFQMSWVNYKLLPEIETIFLPASEDTQFISSSFVKEIARLGESVSKFVSVGVQKELINLNRIGSE
Complex: ACY_A_6(3NV7) / Model_110(3NV7/A) = [3.5] Download630.6912.09MNINNRIGIYPGTFDPITFGHIDIIKRACKLVDRLIIGVAENINKHTTFDAKLRTSMAENEIKRLEIDVDVVSFNGLLVKFAKEQNASVIIRGLRAVSDFDYEFQMSWVNYKLLPEIETIFLPASEDTQFISSSFVKEIARLGESVSKFVSVGVQKELINLNRIGSE
Complex: PNS_B_7(3NBK) / Model_62(3NBK/B) = [3.5] Download1439.8230.80MNINNRIGIYPGTFDPITFGHIDIIKRACKLVDRLIIGVAENINKHTTFDAKLRTSMAENEIKRLEIDVDVVSFNGLLVKFAKEQNASVIIRGLRAVSDFDYEFQMSWVNYKLLPEIETIFLPASEDTQFISSSFVKEIARLGESVSKFVSVGVQKELINLNRIGSE
Consensus
[pKd Mean = 3.38]
-1495
(s=559)
23
(s=6)
MNINNRIGIYPGTFDPITFGHIDIIKRACKLVDRLIIGVAENINKHTTFDAKLRTSMAENEIKRLEIDVDVVSFNGLLVKFAKEQNASVIIRGLRAVSDFDYEFQMSWVNYKLLPEIETIFLPASEDTQFISSSFVKEIARLGESVSKFVSVGVQKELINLNRIGSE