Study : Lmo0055 (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: CIT_A_2(3R7T) / Model_43(3R7T/A) = [3.3] Download920.471.33MSSVVVVGTQWGDEGKGKITDFLSENAEAIARYQGGNNAGHTIKFDGVTYKLHLIPSGIFYKEKISVIGNGMVVDPKALVEELKYLHDKGVDTSNLRISNRAHIILPYHIRIDEADEERKGANKIGTTKKGIGPAYMDKAARVGIRIIDLLDKETFKEKLEHNLGEKNRLLERFYELEGFKLEDILDEYYEYGQQFKEYVCDTSVVLNDALDDGKRVLFEGAQGVMLDIDQGTYPFVTSSNPIAGGVTIGSGVGPSKINHVVGVAKAYTTRVGDGPFPTELFDSIGDTIREVGHEYGTTTGRPRRVGWFDSVVVRHARRVSGLTDLSLTLLDVLTGIETLKICVAYKLDGKTITEFPASLKDLARCEPVYEELPGWTEDITGVTSLDDLPVNCRHYMERIAQLTGVQVSMFSVGPDRAQTHVIKSVWRLA
Complex: HAD_C_3(1KKB) / Model_4(1KKB/A) = [3.8] Download297.2813.00MSSVVVVGTQWGDEGKGKITDFLSENAEAIARYQGGNNAGHTIKFDGVTYKLHLIPSGIFYKEKISVIGNGMVVDPKALVEELKYLHDKGVDTSNLRISNRAHIILPYHIRIDEADEERKGANKIGTTKKGIGPAYMDKAARVGIRIIDLLDKETFKEKLEHNLGEKNRLLERFYELEGFKLEDILDEYYEYGQQFKEYVCDTSVVLNDALDDGKRVLFEGAQGVMLDIDQGTYPFVTSSNPIAGGVTIGSGVGPSKINHVVGVAKAYTTRVGDGPFPTELFDSIGDTIREVGHEYGTTTGRPRRVGWFDSVVVRHARRVSGLTDLSLTLLDVLTGIETLKICVAYKLDGKTITEFPASLKDLARCEPVYEELPGWTEDITGVTSLDDLPVNCRHYMERIAQLTGVQVSMFSVGPDRAQTHVIKSVWRLA
Complex: GDP_B_7(1LNY) / Model_33(1LNY/B) = [4.5] Download990.7914.16MSSVVVVGTQWGDEGKGKITDFLSENAEAIARYQGGNNAGHTIKFDGVTYKLHLIPSGIFYKEKISVIGNGMVVDPKALVEELKYLHDKGVDTSNLRISNRAHIILPYHIRIDEADEERKGANKIGTTKKGIGPAYMDKAARVGIRIIDLLDKETFKEKLEHNLGEKNRLLERFYELEGFKLEDILDEYYEYGQQFKEYVCDTSVVLNDALDDGKRVLFEGAQGVMLDIDQGTYPFVTSSNPIAGGVTIGSGVGPSKINHVVGVAKAYTTRVGDGPFPTELFDSIGDTIREVGHEYGTTTGRPRRVGWFDSVVVRHARRVSGLTDLSLTLLDVLTGIETLKICVAYKLDGKTITEFPASLKDLARCEPVYEELPGWTEDITGVTSLDDLPVNCRHYMERIAQLTGVQVSMFSVGPDRAQTHVIKSVWRLA
Complex: GDP_A_2(2V40) / Model_39(2V40/A) = [4.7] Download1365.987.71MSSVVVVGTQWGDEGKGKITDFLSENAEAIARYQGGNNAGHTIKFDGVTYKLHLIPSGIFYKEKISVIGNGMVVDPKALVEELKYLHDKGVDTSNLRISNRAHIILPYHIRIDEADEERKGANKIGTTKKGIGPAYMDKAARVGIRIIDLLDKETFKEKLEHNLGEKNRLLERFYELEGFKLEDILDEYYEYGQQFKEYVCDTSVVLNDALDDGKRVLFEGAQGVMLDIDQGTYPFVTSSNPIAGGVTIGSGVGPSKINHVVGVAKAYTTRVGDGPFPTELFDSIGDTIREVGHEYGTTTGRPRRVGWFDSVVVRHARRVSGLTDLSLTLLDVLTGIETLKICVAYKLDGKTITEFPASLKDLARCEPVYEELPGWTEDITGVTSLDDLPVNCRHYMERIAQLTGVQVSMFSVGPDRAQTHVIKSVWRLA
Complex: GDP_A_2(2V40) / Model_38(2V40/A) = [4.7] Download1400.457.71MSSVVVVGTQWGDEGKGKITDFLSENAEAIARYQGGNNAGHTIKFDGVTYKLHLIPSGIFYKEKISVIGNGMVVDPKALVEELKYLHDKGVDTSNLRISNRAHIILPYHIRIDEADEERKGANKIGTTKKGIGPAYMDKAARVGIRIIDLLDKETFKEKLEHNLGEKNRLLERFYELEGFKLEDILDEYYEYGQQFKEYVCDTSVVLNDALDDGKRVLFEGAQGVMLDIDQGTYPFVTSSNPIAGGVTIGSGVGPSKINHVVGVAKAYTTRVGDGPFPTELFDSIGDTIREVGHEYGTTTGRPRRVGWFDSVVVRHARRVSGLTDLSLTLLDVLTGIETLKICVAYKLDGKTITEFPASLKDLARCEPVYEELPGWTEDITGVTSLDDLPVNCRHYMERIAQLTGVQVSMFSVGPDRAQTHVIKSVWRLA
Consensus
[pKd Mean = 4.20]
-994
(s=398)
8
(s=4)
MSSVVVVGTQWGDEGKGKITDFLSENAEAIARYQGGNNAGHTIKFDGVTYKLHLIPSGIFYKEKISVIGNGMVVDPKALVEELKYLHDKGVDTSNLRISNRAHIILPYHIRIDEADEERKGANKIGTTKKGIGPAYMDKAARVGIRIIDLLDKETFKEKLEHNLGEKNRLLERFYELEGFKLEDILDEYYEYGQQFKEYVCDTSVVLNDALDDGKRVLFEGAQGVMLDIDQGTYPFVTSSNPIAGGVTIGSGVGPSKINHVVGVAKAYTTRVGDGPFPTELFDSIGDTIREVGHEYGTTTGRPRRVGWFDSVVVRHARRVSGLTDLSLTLLDVLTGIETLKICVAYKLDGKTITEFPASLKDLARCEPVYEELPGWTEDITGVTSLDDLPVNCRHYMERIAQLTGVQVSMFSVGPDRAQTHVIKSVWRLA