Study : PA4975 (atomeDB@cbs.cnrs.fr)


Main Binding Site Prediction:


Binding Site Prediction

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Binding Site Number :C1_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 C1_S1
Complex: GOL_B_8(4QOD) / Model_28(4QOD/B) = [3.1] Download749.3823.25MNVLIVHAHNEPQSFTRALCDQACETLAGQGHAVQVSDLYAMNWNPVASAADFAERADPDYLVYALEQRESVKRQSLAADIQAELDKLLWADLLILNFPIYWFSVPAILKGWFDRVLVSGVCYGGKRFYDQGGLAGKKALVSLTLGGRQHMFGEGAIHGPLEDMLRPILRGTLAYVGMQVLEPFVAWHVPYISEEARGNFLRAYRARLENLEQDVPLRFPRLEQFDALLQPLAR
Complex: FMN_B_6(4QOJ) / Model_22(4QOJ/B) = [8.0] Download1315.4934.80MNVLIVHAHNEPQSFTRALCDQACETLAGQGHAVQVSDLYAMNWNPVASAADFAERADPDYLVYALEQRESVKRQSLAADIQAELDKLLWADLLILNFPIYWFSVPAILKGWFDRVLVSGVCYGGKRFYDQGGLAGKKALVSLTLGGRQHMFGEGAIHGPLEDMLRPILRGTLAYVGMQVLEPFVAWHVPYISEEARGNFLRAYRARLENLEQDVPLRFPRLEQFDALLQPLAR
Complex: FMN_B_6(4QOI) / Model_23(4QOI/B) = [8.2] Download1206.5835.10MNVLIVHAHNEPQSFTRALCDQACETLAGQGHAVQVSDLYAMNWNPVASAADFAERADPDYLVYALEQRESVKRQSLAADIQAELDKLLWADLLILNFPIYWFSVPAILKGWFDRVLVSGVCYGGKRFYDQGGLAGKKALVSLTLGGRQHMFGEGAIHGPLEDMLRPILRGTLAYVGMQVLEPFVAWHVPYISEEARGNFLRAYRARLENLEQDVPLRFPRLEQFDALLQPLAR
Complex: FMN_A_3(4QOI) / Model_17(4QOI/A) = [8.3] Download1332.4635.10MNVLIVHAHNEPQSFTRALCDQACETLAGQGHAVQVSDLYAMNWNPVASAADFAERADPDYLVYALEQRESVKRQSLAADIQAELDKLLWADLLILNFPIYWFSVPAILKGWFDRVLVSGVCYGGKRFYDQGGLAGKKALVSLTLGGRQHMFGEGAIHGPLEDMLRPILRGTLAYVGMQVLEPFVAWHVPYISEEARGNFLRAYRARLENLEQDVPLRFPRLEQFDALLQPLAR
Complex: FMN_A_3(4QOF) / Model_14(4QOF/A) = [8.3] Download1149.0935.10MNVLIVHAHNEPQSFTRALCDQACETLAGQGHAVQVSDLYAMNWNPVASAADFAERADPDYLVYALEQRESVKRQSLAADIQAELDKLLWADLLILNFPIYWFSVPAILKGWFDRVLVSGVCYGGKRFYDQGGLAGKKALVSLTLGGRQHMFGEGAIHGPLEDMLRPILRGTLAYVGMQVLEPFVAWHVPYISEEARGNFLRAYRARLENLEQDVPLRFPRLEQFDALLQPLAR
Consensus
[pKd Mean = 7.18]
-1150
(s=211)
32
(s=4)
MNVLIVHAHNEPQSFTRALCDQACETLAGQGHAVQVSDLYAMNWNPVASAADFAERADPDYLVYALEQRESVKRQSLAADIQAELDKLLWADLLILNFPIYWFSVPAILKGWFDRVLVSGVCYGGKRFYDQGGLAGKKALVSLTLGGRQHMFGEGAIHGPLEDMLRPILRGTLAYVGMQVLEPFVAWHVPYISEEARGNFLRAYRARLENLEQDVPLRFPRLEQFDALLQPLAR