Study : Lmo0009 (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] : 5 (5 maxi)

Complexes [Theoretical pKd]FileVolume (A3)
(FPocket)
Hydrophobicity
Score(FPocket)
Contacts Ligand/Receptor [<4A] in Site C2_S1
Complex: EOH_A_6(4MJ8) / Model_5(4MJ8/A) = [3.2] Download541.3237.36MSGDLKLRPLEREDLKFVHRLNNDAKIMSYWFEEPYEAFVELQELYDKHIHDQSERRFILELDGQMVGLVELMEIDYIHRRAEFQIIIDPKFQGHGYAVSATKLAMKYAFHVLNMHKLYLVVDKVNEKAIHVYEKVGFIREGELIDEFFVDGTYHDAIRMCIFQHQYREMDI
Complex: COA_B_10(3WR7) / Model_23(3WR7/B) = [6.1] Download1833.6332.03MSGDLKLRPLEREDLKFVHRLNNDAKIMSYWFEEPYEAFVELQELYDKHIHDQSERRFILELDGQMVGLVELMEIDYIHRRAEFQIIIDPKFQGHGYAVSATKLAMKYAFHVLNMHKLYLVVDKVNEKAIHVYEKVGFIREGELIDEFFVDGTYHDAIRMCIFQHQYREMDI
Complex: COA_A_6(3WR7) / Model_2(3WR7/A) = [6.6] Download1391.8734.06MSGDLKLRPLEREDLKFVHRLNNDAKIMSYWFEEPYEAFVELQELYDKHIHDQSERRFILELDGQMVGLVELMEIDYIHRRAEFQIIIDPKFQGHGYAVSATKLAMKYAFHVLNMHKLYLVVDKVNEKAIHVYEKVGFIREGELIDEFFVDGTYHDAIRMCIFQHQYREMDI
Complex: COA_A_6(3WR7) / Model_61(3WR7/A) = [6.6] Download1400.3934.06MSGDLKLRPLEREDLKFVHRLNNDAKIMSYWFEEPYEAFVELQELYDKHIHDQSERRFILELDGQMVGLVELMEIDYIHRRAEFQIIIDPKFQGHGYAVSATKLAMKYAFHVLNMHKLYLVVDKVNEKAIHVYEKVGFIREGELIDEFFVDGTYHDAIRMCIFQHQYREMDI
Complex: COA_C_8(3WR7) / Model_22(3WR7/C) = [8.7] Download1875.1133.91MSGDLKLRPLEREDLKFVHRLNNDAKIMSYWFEEPYEAFVELQELYDKHIHDQSERRFILELDGQMVGLVELMEIDYIHRRAEFQIIIDPKFQGHGYAVSATKLAMKYAFHVLNMHKLYLVVDKVNEKAIHVYEKVGFIREGELIDEFFVDGTYHDAIRMCIFQHQYREMDI
Consensus
[pKd Mean = 6.24]
-1408
(s=479)
34
(s=1)
MSGDLKLRPLEREDLKFVHRLNNDAKIMSYWFEEPYEAFVELQELYDKHIHDQSERRFILELDGQMVGLVELMEIDYIHRRAEFQIIIDPKFQGHGYAVSATKLAMKYAFHVLNMHKLYLVVDKVNEKAIHVYEKVGFIREGELIDEFFVDGTYHDAIRMCIFQHQYREMDI