Study : Lmo0316 (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: TZE_A_5(1C3Q) / Model_21(1C3Q/C) = [3.1] Download765.6315.13MFDFMTLEKVREKGPLVHNITNIVVANDSANGLLAIGASPIMASAKEEMDELAKMADVLVINIGTLDGELVTAMKIAGRAANVAGTPVVLDPVGVGATSYRRKVVQELLAEIQFAAIRGNAGELAAIAGEAWEAKGVDAGVGSADVLSIAGKVANEWSTVVIISGEVDVISDGTRFAKVANGSALLPRITGSGCLLSAVCGSFIAVQDDAFRASVEACASYAVASEYAEMELERKLPGSFRPLFLDALASWSVEKTRAKAKIQESGEHK
Complex: TZE_B_7(1C3Q) / Model_22(1C3Q/B) = [3.1] Download709.8510.75MFDFMTLEKVREKGPLVHNITNIVVANDSANGLLAIGASPIMASAKEEMDELAKMADVLVINIGTLDGELVTAMKIAGRAANVAGTPVVLDPVGVGATSYRRKVVQELLAEIQFAAIRGNAGELAAIAGEAWEAKGVDAGVGSADVLSIAGKVANEWSTVVIISGEVDVISDGTRFAKVANGSALLPRITGSGCLLSAVCGSFIAVQDDAFRASVEACASYAVASEYAEMELERKLPGSFRPLFLDALASWSVEKTRAKAKIQESGEHK
Complex: ATP_A_11(1ESQ) / Model_4(1ESQ/A) = [5.2] Download1193.717.24MFDFMTLEKVREKGPLVHNITNIVVANDSANGLLAIGASPIMASAKEEMDELAKMADVLVINIGTLDGELVTAMKIAGRAANVAGTPVVLDPVGVGATSYRRKVVQELLAEIQFAAIRGNAGELAAIAGEAWEAKGVDAGVGSADVLSIAGKVANEWSTVVIISGEVDVISDGTRFAKVANGSALLPRITGSGCLLSAVCGSFIAVQDDAFRASVEACASYAVASEYAEMELERKLPGSFRPLFLDALASWSVEKTRAKAKIQESGEHK
Complex: ATP_C_13(1ESQ) / Model_23(1ESQ/C) = [5.3] Download1471.468.52MFDFMTLEKVREKGPLVHNITNIVVANDSANGLLAIGASPIMASAKEEMDELAKMADVLVINIGTLDGELVTAMKIAGRAANVAGTPVVLDPVGVGATSYRRKVVQELLAEIQFAAIRGNAGELAAIAGEAWEAKGVDAGVGSADVLSIAGKVANEWSTVVIISGEVDVISDGTRFAKVANGSALLPRITGSGCLLSAVCGSFIAVQDDAFRASVEACASYAVASEYAEMELERKLPGSFRPLFLDALASWSVEKTRAKAKIQESGEHK
Complex: ATP_B_12(1ESQ) / Model_24(1ESQ/B) = [5.4] Download1279.747.46MFDFMTLEKVREKGPLVHNITNIVVANDSANGLLAIGASPIMASAKEEMDELAKMADVLVINIGTLDGELVTAMKIAGRAANVAGTPVVLDPVGVGATSYRRKVVQELLAEIQFAAIRGNAGELAAIAGEAWEAKGVDAGVGSADVLSIAGKVANEWSTVVIISGEVDVISDGTRFAKVANGSALLPRITGSGCLLSAVCGSFIAVQDDAFRASVEACASYAVASEYAEMELERKLPGSFRPLFLDALASWSVEKTRAKAKIQESGEHK
Consensus
[pKd Mean = 4.42]
-1084
(s=297)
9
(s=3)
MFDFMTLEKVREKGPLVHNITNIVVANDSANGLLAIGASPIMASAKEEMDELAKMADVLVINIGTLDGELVTAMKIAGRAANVAGTPVVLDPVGVGATSYRRKVVQELLAEIQFAAIRGNAGELAAIAGEAWEAKGVDAGVGSADVLSIAGKVANEWSTVVIISGEVDVISDGTRFAKVANGSALLPRITGSGCLLSAVCGSFIAVQDDAFRASVEACASYAVASEYAEMELERKLPGSFRPLFLDALASWSVEKTRAKAKIQESGEHK