Study : B6BH72_SULGG (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: EDO_A_16(3CSV) / Model_26(3CSV/A) = [3.2] Download615.7117.33MGVKTQLSLHELNQLFPSYGFTEIKPTISGIIDTTYIIHNETTGYILKRYERDITRKIELDIKLLNELKSVGLNVPACLDSNYGWYIYEKLEGKQPTNTKSYHIQALGRFLAKMHSQTSKMRCDSNRIIEDEVTQSLKYVKENFFAYYKRFEFLKNFTHKHEAIIHGDIFKDNTIFNGRKIGVIDFIDSSCGTFAYDVAVTLVGFDARERHDYYINLFLKNYNQHAPKKLSKKVVKEKMKFAANFFALKRVHEYKNTSRAKELLK
Complex: AMP_A_3(4R78) / Model_31(4R78/A) = [3.6] Download714.7516.24MGVKTQLSLHELNQLFPSYGFTEIKPTISGIIDTTYIIHNETTGYILKRYERDITRKIELDIKLLNELKSVGLNVPACLDSNYGWYIYEKLEGKQPTNTKSYHIQALGRFLAKMHSQTSKMRCDSNRIIEDEVTQSLKYVKENFFAYYKRFEFLKNFTHKHEAIIHGDIFKDNTIFNGRKIGVIDFIDSSCGTFAYDVAVTLVGFDARERHDYYINLFLKNYNQHAPKKLSKKVVKEKMKFAANFFALKRVHEYKNTSRAKELLK
Complex: ADN_A_5(2Q83) / Model_27(2Q83/A) = [3.6] Download1231.7210.14MGVKTQLSLHELNQLFPSYGFTEIKPTISGIIDTTYIIHNETTGYILKRYERDITRKIELDIKLLNELKSVGLNVPACLDSNYGWYIYEKLEGKQPTNTKSYHIQALGRFLAKMHSQTSKMRCDSNRIIEDEVTQSLKYVKENFFAYYKRFEFLKNFTHKHEAIIHGDIFKDNTIFNGRKIGVIDFIDSSCGTFAYDVAVTLVGFDARERHDYYINLFLKNYNQHAPKKLSKKVVKEKMKFAANFFALKRVHEYKNTSRAKELLK
Complex: ADN_A_5(2Q83) / Model_45(2Q83/A) = [3.6] Download941.496.30MGVKTQLSLHELNQLFPSYGFTEIKPTISGIIDTTYIIHNETTGYILKRYERDITRKIELDIKLLNELKSVGLNVPACLDSNYGWYIYEKLEGKQPTNTKSYHIQALGRFLAKMHSQTSKMRCDSNRIIEDEVTQSLKYVKENFFAYYKRFEFLKNFTHKHEAIIHGDIFKDNTIFNGRKIGVIDFIDSSCGTFAYDVAVTLVGFDARERHDYYINLFLKNYNQHAPKKLSKKVVKEKMKFAANFFALKRVHEYKNTSRAKELLK
Complex: BEZ_A_2(6EF6) / Model_25(6EF6/A) = [3.8] Download298.1817.94MGVKTQLSLHELNQLFPSYGFTEIKPTISGIIDTTYIIHNETTGYILKRYERDITRKIELDIKLLNELKSVGLNVPACLDSNYGWYIYEKLEGKQPTNTKSYHIQALGRFLAKMHSQTSKMRCDSNRIIEDEVTQSLKYVKENFFAYYKRFEFLKNFTHKHEAIIHGDIFKDNTIFNGRKIGVIDFIDSSCGTFAYDVAVTLVGFDARERHDYYINLFLKNYNQHAPKKLSKKVVKEKMKFAANFFALKRVHEYKNTSRAKELLK
Consensus
[pKd Mean = 3.56]
-760
(s=313)
13
(s=4)
MGVKTQLSLHELNQLFPSYGFTEIKPTISGIIDTTYIIHNETTGYILKRYERDITRKIELDIKLLNELKSVGLNVPACLDSNYGWYIYEKLEGKQPTNTKSYHIQALGRFLAKMHSQTSKMRCDSNRIIEDEVTQSLKYVKENFFAYYKRFEFLKNFTHKHEAIIHGDIFKDNTIFNGRKIGVIDFIDSSCGTFAYDVAVTLVGFDARERHDYYINLFLKNYNQHAPKKLSKKVVKEKMKFAANFFALKRVHEYKNTSRAKELLK