Study : bsu22870 (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] : 2 (5 maxi)

Complexes [Theoretical pKd]FileVolume (A3)
(FPocket)
Hydrophobicity
Score(FPocket)
Contacts Ligand/Receptor [<4A] in Site C3_S1
Complex: FMN_M_13(1P0N) / Model_21(1P0N/B) = [6.5] Download1420.6720.62MTRAERKRQHINHALSIGQKRETGLDDITFVHVSLPDLALEQVDISTKIGELSSSSPIFINAMTGGGGKLTYEINKSLARAASQAGIPLAVGSQMSALKDPSERLSYEIVRKENPNGLIFANLGSEATAAQAKEAVEMIGANALQIHLNVIQEIVMPEGDRSFSGALKRIEQICSRVSVPVIVKEVGFGMSKASAGKLYEAGAAAVDIGGYGGTNFSKIENLRRQRQISFFNSWGISTAASLAEIRSEFPASTMIASGGLQDALDVAKAIALGASCTGMAGHFLKALTDSGEEGLLEEIQLILEELKLIMTVLGARTIADLQKAPLVIKGETHHWLTERGVNTSSYSVR
Complex: FNR_A_5(4N02) / Model_110(4N02/A) = [10.2] Download763.8318.75MTRAERKRQHINHALSIGQKRETGLDDITFVHVSLPDLALEQVDISTKIGELSSSSPIFINAMTGGGGKLTYEINKSLARAASQAGIPLAVGSQMSALKDPSERLSYEIVRKENPNGLIFANLGSEATAAQAKEAVEMIGANALQIHLNVIQEIVMPEGDRSFSGALKRIEQICSRVSVPVIVKEVGFGMSKASAGKLYEAGAAAVDIGGYGGTNFSKIENLRRQRQISFFNSWGISTAASLAEIRSEFPASTMIASGGLQDALDVAKAIALGASCTGMAGHFLKALTDSGEEGLLEEIQLILEELKLIMTVLGARTIADLQKAPLVIKGETHHWLTERGVNTSSYSVR
Consensus
[pKd Mean = 8.35]
-1092
(s=328)
19
(s=1)
MTRAERKRQHINHALSIGQKRETGLDDITFVHVSLPDLALEQVDISTKIGELSSSSPIFINAMTGGGGKLTYEINKSLARAASQAGIPLAVGSQMSALKDPSERLSYEIVRKENPNGLIFANLGSEATAAQAKEAVEMIGANALQIHLNVIQEIVMPEGDRSFSGALKRIEQICSRVSVPVIVKEVGFGMSKASAGKLYEAGAAAVDIGGYGGTNFSKIENLRRQRQISFFNSWGISTAASLAEIRSEFPASTMIASGGLQDALDVAKAIALGASCTGMAGHFLKALTDSGEEGLLEEIQLILEELKLIMTVLGARTIADLQKAPLVIKGETHHWLTERGVNTSSYSVR