Study : bsu25670 (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: GDP_B_2(1SVI) / Model_53(1SVI/A) = [4.6] Download795.313.67MEKVVCIGCGVTIQTEDKTGLGYAPPASLTKENVICQRCFRLKNYNEIQDVSLTDDDFLNILHGIGETDSLVVKIVDIFDFNGSWINGLQRLVGGNPILLVGNKADILPKSLKRERLIQWMKREAKELGLKPVDVFLVSAGRGQGIREVIDAIEHYRNGKDVYVVGCTNVGKSTFINRIIKEVSGEEDIITTSQFPGTTLDAIEIPLDDGSSLYDTPGIINNHQMAHYVNKKDLKILSPKKELKPRTFQLNDQQTLYFGGLARFDYVSGERSPFICYMPNELMIHRTKLENADALYEKHAGELLTPPGKDEMDEFPELVAHTFTIKDKKTDIVFSGLGWVTVHDADKKVTAYAPKGVHVFVRRSLI
Complex: GDP_A_3(3EC1) / Model_2(3EC1/A) = [5.1] Download1063.985.56MEKVVCIGCGVTIQTEDKTGLGYAPPASLTKENVICQRCFRLKNYNEIQDVSLTDDDFLNILHGIGETDSLVVKIVDIFDFNGSWINGLQRLVGGNPILLVGNKADILPKSLKRERLIQWMKREAKELGLKPVDVFLVSAGRGQGIREVIDAIEHYRNGKDVYVVGCTNVGKSTFINRIIKEVSGEEDIITTSQFPGTTLDAIEIPLDDGSSLYDTPGIINNHQMAHYVNKKDLKILSPKKELKPRTFQLNDQQTLYFGGLARFDYVSGERSPFICYMPNELMIHRTKLENADALYEKHAGELLTPPGKDEMDEFPELVAHTFTIKDKKTDIVFSGLGWVTVHDADKKVTAYAPKGVHVFVRRSLI
Complex: GDP_A_3(3EC1) / Model_37(3EC1/A) = [5.1] Download1027.635.56MEKVVCIGCGVTIQTEDKTGLGYAPPASLTKENVICQRCFRLKNYNEIQDVSLTDDDFLNILHGIGETDSLVVKIVDIFDFNGSWINGLQRLVGGNPILLVGNKADILPKSLKRERLIQWMKREAKELGLKPVDVFLVSAGRGQGIREVIDAIEHYRNGKDVYVVGCTNVGKSTFINRIIKEVSGEEDIITTSQFPGTTLDAIEIPLDDGSSLYDTPGIINNHQMAHYVNKKDLKILSPKKELKPRTFQLNDQQTLYFGGLARFDYVSGERSPFICYMPNELMIHRTKLENADALYEKHAGELLTPPGKDEMDEFPELVAHTFTIKDKKTDIVFSGLGWVTVHDADKKVTAYAPKGVHVFVRRSLI
Complex: GDP_A_3(3EC1) / Model_65(3EC1/A) = [5.1] Download1049.445.56MEKVVCIGCGVTIQTEDKTGLGYAPPASLTKENVICQRCFRLKNYNEIQDVSLTDDDFLNILHGIGETDSLVVKIVDIFDFNGSWINGLQRLVGGNPILLVGNKADILPKSLKRERLIQWMKREAKELGLKPVDVFLVSAGRGQGIREVIDAIEHYRNGKDVYVVGCTNVGKSTFINRIIKEVSGEEDIITTSQFPGTTLDAIEIPLDDGSSLYDTPGIINNHQMAHYVNKKDLKILSPKKELKPRTFQLNDQQTLYFGGLARFDYVSGERSPFICYMPNELMIHRTKLENADALYEKHAGELLTPPGKDEMDEFPELVAHTFTIKDKKTDIVFSGLGWVTVHDADKKVTAYAPKGVHVFVRRSLI
Complex: GDP_B_4(3EC1) / Model_21(3EC1/B) = [5.5] Download1414.537.23MEKVVCIGCGVTIQTEDKTGLGYAPPASLTKENVICQRCFRLKNYNEIQDVSLTDDDFLNILHGIGETDSLVVKIVDIFDFNGSWINGLQRLVGGNPILLVGNKADILPKSLKRERLIQWMKREAKELGLKPVDVFLVSAGRGQGIREVIDAIEHYRNGKDVYVVGCTNVGKSTFINRIIKEVSGEEDIITTSQFPGTTLDAIEIPLDDGSSLYDTPGIINNHQMAHYVNKKDLKILSPKKELKPRTFQLNDQQTLYFGGLARFDYVSGERSPFICYMPNELMIHRTKLENADALYEKHAGELLTPPGKDEMDEFPELVAHTFTIKDKKTDIVFSGLGWVTVHDADKKVTAYAPKGVHVFVRRSLI
Consensus
[pKd Mean = 5.08]
-1070
(s=198)
5
(s=1)
MEKVVCIGCGVTIQTEDKTGLGYAPPASLTKENVICQRCFRLKNYNEIQDVSLTDDDFLNILHGIGETDSLVVKIVDIFDFNGSWINGLQRLVGGNPILLVGNKADILPKSLKRERLIQWMKREAKELGLKPVDVFLVSAGRGQGIREVIDAIEHYRNGKDVYVVGCTNVGKSTFINRIIKEVSGEEDIITTSQFPGTTLDAIEIPLDDGSSLYDTPGIINNHQMAHYVNKKDLKILSPKKELKPRTFQLNDQQTLYFGGLARFDYVSGERSPFICYMPNELMIHRTKLENADALYEKHAGELLTPPGKDEMDEFPELVAHTFTIKDKKTDIVFSGLGWVTVHDADKKVTAYAPKGVHVFVRRSLI