Study : bsu03600 (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: ARG_C_10(4YMU) / Model_13(4YMU/C) = [3.7] Download7071.7439.68MFLNNLPALTLGTAIPWDLVQQSFWPILSGGIYYTIPLTILSFIFGMILALITALARMSKVRPLRWVFSVYVSAIRGTPLLVQLFIIFYLFPAFNVTLDPFPSAVIAFSLNVGAYASEIIRASILSVPKGQWEAGYTIGMTHQKTLFRVILPQAFRVSIPPLSNTFISLIKDTSLASQILVAELFRKAQEIGARNLDQILVIYIEAAFIYWIICFLLSLVQHVIERRLDRYVAK
Complex: ARG_C_10(4YMU) / Model_11(4YMU/C) = [3.7] Download5404.6740.01MFLNNLPALTLGTAIPWDLVQQSFWPILSGGIYYTIPLTILSFIFGMILALITALARMSKVRPLRWVFSVYVSAIRGTPLLVQLFIIFYLFPAFNVTLDPFPSAVIAFSLNVGAYASEIIRASILSVPKGQWEAGYTIGMTHQKTLFRVILPQAFRVSIPPLSNTFISLIKDTSLASQILVAELFRKAQEIGARNLDQILVIYIEAAFIYWIICFLLSLVQHVIERRLDRYVAK
Complex: ARG_C_5(4YMT) / Model_2(4YMT/C) = [3.7] Download6265.8141.56MFLNNLPALTLGTAIPWDLVQQSFWPILSGGIYYTIPLTILSFIFGMILALITALARMSKVRPLRWVFSVYVSAIRGTPLLVQLFIIFYLFPAFNVTLDPFPSAVIAFSLNVGAYASEIIRASILSVPKGQWEAGYTIGMTHQKTLFRVILPQAFRVSIPPLSNTFISLIKDTSLASQILVAELFRKAQEIGARNLDQILVIYIEAAFIYWIICFLLSLVQHVIERRLDRYVAK
Complex: HIS_D_5(4YMW) / Model_5(4YMW/D) = [3.9] Download2214.0042.16MFLNNLPALTLGTAIPWDLVQQSFWPILSGGIYYTIPLTILSFIFGMILALITALARMSKVRPLRWVFSVYVSAIRGTPLLVQLFIIFYLFPAFNVTLDPFPSAVIAFSLNVGAYASEIIRASILSVPKGQWEAGYTIGMTHQKTLFRVILPQAFRVSIPPLSNTFISLIKDTSLASQILVAELFRKAQEIGARNLDQILVIYIEAAFIYWIICFLLSLVQHVIERRLDRYVAK
Complex: HIS_C_6(4YMW) / Model_10(4YMW/C) = [3.9] Download2552.6139.11MFLNNLPALTLGTAIPWDLVQQSFWPILSGGIYYTIPLTILSFIFGMILALITALARMSKVRPLRWVFSVYVSAIRGTPLLVQLFIIFYLFPAFNVTLDPFPSAVIAFSLNVGAYASEIIRASILSVPKGQWEAGYTIGMTHQKTLFRVILPQAFRVSIPPLSNTFISLIKDTSLASQILVAELFRKAQEIGARNLDQILVIYIEAAFIYWIICFLLSLVQHVIERRLDRYVAK
Consensus
[pKd Mean = 3.78]
-4701
(s=1967)
40
(s=1)
MFLNNLPALTLGTAIPWDLVQQSFWPILSGGIYYTIPLTILSFIFGMILALITALARMSKVRPLRWVFSVYVSAIRGTPLLVQLFIIFYLFPAFNVTLDPFPSAVIAFSLNVGAYASEIIRASILSVPKGQWEAGYTIGMTHQKTLFRVILPQAFRVSIPPLSNTFISLIKDTSLASQILVAELFRKAQEIGARNLDQILVIYIEAAFIYWIICFLLSLVQHVIERRLDRYVAK