Study : bsu10120 (atomeDB@cbs.cnrs.fr)


Main Binding Site Prediction:


Binding Site Prediction

Download fasta file
Download text file


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: 1CP_A_2(1R3V) / Model_20(1R3V/A) = [6.8] Download799.1326.35MSKRETFNETFLKAARGEKADHTPVWYMRQAGRSQPEYRKLKEKYGLFEITHQPELCAYVTRLPVEQYGVDAAILYKDIMTPLPSIGVDVEIKNGIGPVIDQPIRSLADIEKLGQIDPEQDVPYVLETIKLLVNEQLNVPLIGFSGAPFTLASYMIEGGPSKNYNKTKAFMYSMPDAWNLLMSKLADMIIVYVKAQIEAGAKAIQIFDSWVGALNQADYRTYIKPVMNRIFSELAKENVPLIMFGVGASHLAGDWHDLPLDVVGLDWRLGIDEARSKGITKTVQGNLDPSILLAPWEVIEQKTKEILDQGMESDGFIFNLGHGVFPDVSPEVLKKLTAFVHEYSQNKKMGQYS
Complex: CP3_A_2(1R3T) / Model_23(1R3T/A) = [8.5] Download908.3433.97MSKRETFNETFLKAARGEKADHTPVWYMRQAGRSQPEYRKLKEKYGLFEITHQPELCAYVTRLPVEQYGVDAAILYKDIMTPLPSIGVDVEIKNGIGPVIDQPIRSLADIEKLGQIDPEQDVPYVLETIKLLVNEQLNVPLIGFSGAPFTLASYMIEGGPSKNYNKTKAFMYSMPDAWNLLMSKLADMIIVYVKAQIEAGAKAIQIFDSWVGALNQADYRTYIKPVMNRIFSELAKENVPLIMFGVGASHLAGDWHDLPLDVVGLDWRLGIDEARSKGITKTVQGNLDPSILLAPWEVIEQKTKEILDQGMESDGFIFNLGHGVFPDVSPEVLKKLTAFVHEYSQNKKMGQYS
Complex: 1CP_A_2(1R3Q) / Model_9(1R3Q/A) = [9.2] Download705.2730.71MSKRETFNETFLKAARGEKADHTPVWYMRQAGRSQPEYRKLKEKYGLFEITHQPELCAYVTRLPVEQYGVDAAILYKDIMTPLPSIGVDVEIKNGIGPVIDQPIRSLADIEKLGQIDPEQDVPYVLETIKLLVNEQLNVPLIGFSGAPFTLASYMIEGGPSKNYNKTKAFMYSMPDAWNLLMSKLADMIIVYVKAQIEAGAKAIQIFDSWVGALNQADYRTYIKPVMNRIFSELAKENVPLIMFGVGASHLAGDWHDLPLDVVGLDWRLGIDEARSKGITKTVQGNLDPSILLAPWEVIEQKTKEILDQGMESDGFIFNLGHGVFPDVSPEVLKKLTAFVHEYSQNKKMGQYS
Complex: CP3_A_2(1R3Y) / Model_10(1R3Y/A) = [9.7] Download503.5531.85MSKRETFNETFLKAARGEKADHTPVWYMRQAGRSQPEYRKLKEKYGLFEITHQPELCAYVTRLPVEQYGVDAAILYKDIMTPLPSIGVDVEIKNGIGPVIDQPIRSLADIEKLGQIDPEQDVPYVLETIKLLVNEQLNVPLIGFSGAPFTLASYMIEGGPSKNYNKTKAFMYSMPDAWNLLMSKLADMIIVYVKAQIEAGAKAIQIFDSWVGALNQADYRTYIKPVMNRIFSELAKENVPLIMFGVGASHLAGDWHDLPLDVVGLDWRLGIDEARSKGITKTVQGNLDPSILLAPWEVIEQKTKEILDQGMESDGFIFNLGHGVFPDVSPEVLKKLTAFVHEYSQNKKMGQYS
Complex: CP3_A_2(1R3W) / Model_18(1R3W/A) = [9.9] Download652.1030.97MSKRETFNETFLKAARGEKADHTPVWYMRQAGRSQPEYRKLKEKYGLFEITHQPELCAYVTRLPVEQYGVDAAILYKDIMTPLPSIGVDVEIKNGIGPVIDQPIRSLADIEKLGQIDPEQDVPYVLETIKLLVNEQLNVPLIGFSGAPFTLASYMIEGGPSKNYNKTKAFMYSMPDAWNLLMSKLADMIIVYVKAQIEAGAKAIQIFDSWVGALNQADYRTYIKPVMNRIFSELAKENVPLIMFGVGASHLAGDWHDLPLDVVGLDWRLGIDEARSKGITKTVQGNLDPSILLAPWEVIEQKTKEILDQGMESDGFIFNLGHGVFPDVSPEVLKKLTAFVHEYSQNKKMGQYS
Consensus
[pKd Mean = 8.82]
-713
(s=136)
30
(s=2)
MSKRETFNETFLKAARGEKADHTPVWYMRQAGRSQPEYRKLKEKYGLFEITHQPELCAYVTRLPVEQYGVDAAILYKDIMTPLPSIGVDVEIKNGIGPVIDQPIRSLADIEKLGQIDPEQDVPYVLETIKLLVNEQLNVPLIGFSGAPFTLASYMIEGGPSKNYNKTKAFMYSMPDAWNLLMSKLADMIIVYVKAQIEAGAKAIQIFDSWVGALNQADYRTYIKPVMNRIFSELAKENVPLIMFGVGASHLAGDWHDLPLDVVGLDWRLGIDEARSKGITKTVQGNLDPSILLAPWEVIEQKTKEILDQGMESDGFIFNLGHGVFPDVSPEVLKKLTAFVHEYSQNKKMGQYS