Study : jhp_0779 (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: FMN_P_16(1QZU) / Model_15(1QZU/B) = [5.2] Download1093.3513.14MNFLEDLFYPLRLLENKRVLLLVSGSIAAYKSLELVRLLFKSGASIQVVMSKGAQKFIKPLSFEALSHHKVLHDRNEKWYYNHQNKLHHNHIACAASADLLIFAPLSANSLSKIAHALADNTISATFLACASPKILAPSMNTNMLNSPIIQSNLKRLKDSNHIILDTQNALLACNTKGDGAMAEPLEILFKATQTLLKDAYFENREVIVMGGASVEKIDSVRVISNLSSGIQASALALALYFKGAKVTLIASNFPTPLPKEIASVLVSDTASYENALNEAAKNLQKHALKPLLFNLAAISDYLPKTSFNHKLKKSELGETLNVECVQNKDLLASVNPNQFVKIGFKAEDDQQNAIKNAQNLLKPSQDNGKDCSVAALNLIKDSRPFGSLDNELWLFSHKKTQKIPSMNKLEASFKILDFIKDNAL
Complex: FMN_M_13(1QZU) / Model_3(1QZU/A) = [5.3] Download1403.6012.32MNFLEDLFYPLRLLENKRVLLLVSGSIAAYKSLELVRLLFKSGASIQVVMSKGAQKFIKPLSFEALSHHKVLHDRNEKWYYNHQNKLHHNHIACAASADLLIFAPLSANSLSKIAHALADNTISATFLACASPKILAPSMNTNMLNSPIIQSNLKRLKDSNHIILDTQNALLACNTKGDGAMAEPLEILFKATQTLLKDAYFENREVIVMGGASVEKIDSVRVISNLSSGIQASALALALYFKGAKVTLIASNFPTPLPKEIASVLVSDTASYENALNEAAKNLQKHALKPLLFNLAAISDYLPKTSFNHKLKKSELGETLNVECVQNKDLLASVNPNQFVKIGFKAEDDQQNAIKNAQNLLKPSQDNGKDCSVAALNLIKDSRPFGSLDNELWLFSHKKTQKIPSMNKLEASFKILDFIKDNAL
Complex: FMN_M_13(1QZU) / Model_20(1QZU/A) = [5.3] Download1205.8810.57MNFLEDLFYPLRLLENKRVLLLVSGSIAAYKSLELVRLLFKSGASIQVVMSKGAQKFIKPLSFEALSHHKVLHDRNEKWYYNHQNKLHHNHIACAASADLLIFAPLSANSLSKIAHALADNTISATFLACASPKILAPSMNTNMLNSPIIQSNLKRLKDSNHIILDTQNALLACNTKGDGAMAEPLEILFKATQTLLKDAYFENREVIVMGGASVEKIDSVRVISNLSSGIQASALALALYFKGAKVTLIASNFPTPLPKEIASVLVSDTASYENALNEAAKNLQKHALKPLLFNLAAISDYLPKTSFNHKLKKSELGETLNVECVQNKDLLASVNPNQFVKIGFKAEDDQQNAIKNAQNLLKPSQDNGKDCSVAALNLIKDSRPFGSLDNELWLFSHKKTQKIPSMNKLEASFKILDFIKDNAL
Complex: FMN_S_19(1QZU) / Model_14(1QZU/C) = [5.3] Download1150.3912.32MNFLEDLFYPLRLLENKRVLLLVSGSIAAYKSLELVRLLFKSGASIQVVMSKGAQKFIKPLSFEALSHHKVLHDRNEKWYYNHQNKLHHNHIACAASADLLIFAPLSANSLSKIAHALADNTISATFLACASPKILAPSMNTNMLNSPIIQSNLKRLKDSNHIILDTQNALLACNTKGDGAMAEPLEILFKATQTLLKDAYFENREVIVMGGASVEKIDSVRVISNLSSGIQASALALALYFKGAKVTLIASNFPTPLPKEIASVLVSDTASYENALNEAAKNLQKHALKPLLFNLAAISDYLPKTSFNHKLKKSELGETLNVECVQNKDLLASVNPNQFVKIGFKAEDDQQNAIKNAQNLLKPSQDNGKDCSVAALNLIKDSRPFGSLDNELWLFSHKKTQKIPSMNKLEASFKILDFIKDNAL
Complex: FMN_V_22(1QZU) / Model_13(1QZU/D) = [5.5] Download958.4612.32MNFLEDLFYPLRLLENKRVLLLVSGSIAAYKSLELVRLLFKSGASIQVVMSKGAQKFIKPLSFEALSHHKVLHDRNEKWYYNHQNKLHHNHIACAASADLLIFAPLSANSLSKIAHALADNTISATFLACASPKILAPSMNTNMLNSPIIQSNLKRLKDSNHIILDTQNALLACNTKGDGAMAEPLEILFKATQTLLKDAYFENREVIVMGGASVEKIDSVRVISNLSSGIQASALALALYFKGAKVTLIASNFPTPLPKEIASVLVSDTASYENALNEAAKNLQKHALKPLLFNLAAISDYLPKTSFNHKLKKSELGETLNVECVQNKDLLASVNPNQFVKIGFKAEDDQQNAIKNAQNLLKPSQDNGKDCSVAALNLIKDSRPFGSLDNELWLFSHKKTQKIPSMNKLEASFKILDFIKDNAL
Consensus
[pKd Mean = 5.32]		-1162
(s=145)		12
(s=0)		MNFLEDLFYPLRLLENKRVLLLVSGSIAAYKSLELVRLLFKSGASIQVVMSKGAQKFIKPLSFEALSHHKVLHDRNEKWYYNHQNKLHHNHIACAASADLLIFAPLSANSLSKIAHALADNTISATFLACASPKILAPSMNTNMLNSPIIQSNLKRLKDSNHIILDTQNALLACNTKGDGAMAEPLEILFKATQTLLKDAYFENREVIVMGGASVEKIDSVRVISNLSSGIQASALALALYFKGAKVTLIASNFPTPLPKEIASVLVSDTASYENALNEAAKNLQKHALKPLLFNLAAISDYLPKTSFNHKLKKSELGETLNVECVQNKDLLASVNPNQFVKIGFKAEDDQQNAIKNAQNLLKPSQDNGKDCSVAALNLIKDSRPFGSLDNELWLFSHKKTQKIPSMNKLEASFKILDFIKDNAL