| Complexes [Theoretical pKd] | File | Volume (A3)
(FPocket) | Hydrophobicity
Score(FPocket) | Contacts Ligand/Receptor [<4A] in Site C2_S1 |
| Complex: ATP_A_2(3NH9) / Model_47(3NH9/A) = [6.1]
| Download | 1408.68 | 22.05 | MSERGDRLSWAEIRRLALRHKKALLFANLVAVLATLCTVPIPLLLPLLVDEVLLGKGDGALRFMDRLLPADWQVAFGYIGLMLAATLLLRGAALVFNVLQAKLFARLSKDIVYRIRLRLIERLRHIALGEYETLGGGSISAHLVTDLDTLDKFVGETLSRFLVALLTLLGTAAILVWMHWQLALLILLFNPLVIWSTVQLGKRVKHLKKLENDSTARFTQALTETLEAIQEVRAGNRQGYFLGRLGHRAQEVRDYAVASQWKSDAAGRASGLLFQFGIDVFRAAAMLTVLLSDLSIGQMLAVFSYLWFMIGPVEQLLGLQYAYYAAGGALQRINELLARADEPRYPPLRDPFAGRTTVGIEVRGLDFAYGEDKVLEQLDLNIGAGEKVALVGASGGGKSTLVQLLLGLYSAQRGSIRYGGVPLEEIGLDCVREHVAVVLQHPALFNDSVRANLTMGRERSDQACWRALEIAQLADGVRRLPQGLDTVVGRSGVRLSGGQRQRLAIARMILAEPKVVILDEATSALDAATEYALHQALGDFLEGRTTLIVAHRLSAVKQADRVLVFDGGHIAEDGDHQQLIAEGGLYARLYGHLQQM |
| Complex: ATP_A_7(1MV5) / Model_121(1MV5/A) = [6.2]
| Download | 1541.39 | 10.28 | MSERGDRLSWAEIRRLALRHKKALLFANLVAVLATLCTVPIPLLLPLLVDEVLLGKGDGALRFMDRLLPADWQVAFGYIGLMLAATLLLRGAALVFNVLQAKLFARLSKDIVYRIRLRLIERLRHIALGEYETLGGGSISAHLVTDLDTLDKFVGETLSRFLVALLTLLGTAAILVWMHWQLALLILLFNPLVIWSTVQLGKRVKHLKKLENDSTARFTQALTETLEAIQEVRAGNRQGYFLGRLGHRAQEVRDYAVASQWKSDAAGRASGLLFQFGIDVFRAAAMLTVLLSDLSIGQMLAVFSYLWFMIGPVEQLLGLQYAYYAAGGALQRINELLARADEPRYPPLRDPFAGRTTVGIEVRGLDFAYGEDKVLEQLDLNIGAGEKVALVGASGGGKSTLVQLLLGLYSAQRGSIRYGGVPLEEIGLDCVREHVAVVLQHPALFNDSVRANLTMGRERSDQACWRALEIAQLADGVRRLPQGLDTVVGRSGVRLSGGQRQRLAIARMILAEPKVVILDEATSALDAATEYALHQALGDFLEGRTTLIVAHRLSAVKQADRVLVFDGGHIAEDGDHQQLIAEGGLYARLYGHLQQM |
| Complex: ATP_D_5(3VX4) / Model_74(3VX4/D) = [6.4]
| Download | 917.97 | 23.25 | MSERGDRLSWAEIRRLALRHKKALLFANLVAVLATLCTVPIPLLLPLLVDEVLLGKGDGALRFMDRLLPADWQVAFGYIGLMLAATLLLRGAALVFNVLQAKLFARLSKDIVYRIRLRLIERLRHIALGEYETLGGGSISAHLVTDLDTLDKFVGETLSRFLVALLTLLGTAAILVWMHWQLALLILLFNPLVIWSTVQLGKRVKHLKKLENDSTARFTQALTETLEAIQEVRAGNRQGYFLGRLGHRAQEVRDYAVASQWKSDAAGRASGLLFQFGIDVFRAAAMLTVLLSDLSIGQMLAVFSYLWFMIGPVEQLLGLQYAYYAAGGALQRINELLARADEPRYPPLRDPFAGRTTVGIEVRGLDFAYGEDKVLEQLDLNIGAGEKVALVGASGGGKSTLVQLLLGLYSAQRGSIRYGGVPLEEIGLDCVREHVAVVLQHPALFNDSVRANLTMGRERSDQACWRALEIAQLADGVRRLPQGLDTVVGRSGVRLSGGQRQRLAIARMILAEPKVVILDEATSALDAATEYALHQALGDFLEGRTTLIVAHRLSAVKQADRVLVFDGGHIAEDGDHQQLIAEGGLYARLYGHLQQM |
| Complex: ADP_A_3(3NHA) / Model_46(3NHA/A) = [6.5]
| Download | 1251.47 | 25.33 | MSERGDRLSWAEIRRLALRHKKALLFANLVAVLATLCTVPIPLLLPLLVDEVLLGKGDGALRFMDRLLPADWQVAFGYIGLMLAATLLLRGAALVFNVLQAKLFARLSKDIVYRIRLRLIERLRHIALGEYETLGGGSISAHLVTDLDTLDKFVGETLSRFLVALLTLLGTAAILVWMHWQLALLILLFNPLVIWSTVQLGKRVKHLKKLENDSTARFTQALTETLEAIQEVRAGNRQGYFLGRLGHRAQEVRDYAVASQWKSDAAGRASGLLFQFGIDVFRAAAMLTVLLSDLSIGQMLAVFSYLWFMIGPVEQLLGLQYAYYAAGGALQRINELLARADEPRYPPLRDPFAGRTTVGIEVRGLDFAYGEDKVLEQLDLNIGAGEKVALVGASGGGKSTLVQLLLGLYSAQRGSIRYGGVPLEEIGLDCVREHVAVVLQHPALFNDSVRANLTMGRERSDQACWRALEIAQLADGVRRLPQGLDTVVGRSGVRLSGGQRQRLAIARMILAEPKVVILDEATSALDAATEYALHQALGDFLEGRTTLIVAHRLSAVKQADRVLVFDGGHIAEDGDHQQLIAEGGLYARLYGHLQQM |
| Complex: ADP_A_2(3NHB) / Model_45(3NHB/A) = [6.6]
| Download | 998.17 | 26.35 | MSERGDRLSWAEIRRLALRHKKALLFANLVAVLATLCTVPIPLLLPLLVDEVLLGKGDGALRFMDRLLPADWQVAFGYIGLMLAATLLLRGAALVFNVLQAKLFARLSKDIVYRIRLRLIERLRHIALGEYETLGGGSISAHLVTDLDTLDKFVGETLSRFLVALLTLLGTAAILVWMHWQLALLILLFNPLVIWSTVQLGKRVKHLKKLENDSTARFTQALTETLEAIQEVRAGNRQGYFLGRLGHRAQEVRDYAVASQWKSDAAGRASGLLFQFGIDVFRAAAMLTVLLSDLSIGQMLAVFSYLWFMIGPVEQLLGLQYAYYAAGGALQRINELLARADEPRYPPLRDPFAGRTTVGIEVRGLDFAYGEDKVLEQLDLNIGAGEKVALVGASGGGKSTLVQLLLGLYSAQRGSIRYGGVPLEEIGLDCVREHVAVVLQHPALFNDSVRANLTMGRERSDQACWRALEIAQLADGVRRLPQGLDTVVGRSGVRLSGGQRQRLAIARMILAEPKVVILDEATSALDAATEYALHQALGDFLEGRTTLIVAHRLSAVKQADRVLVFDGGHIAEDGDHQQLIAEGGLYARLYGHLQQM |
Consensus
[pKd Mean = 6.36] | - | 1223
(s=236) | 21
(s=5) | MSERGDRLSWAEIRRLALRHKKALLFANLVAVLATLCTVPIPLLLPLLVDEVLLGKGDGALRFMDRLLPADWQVAFGYIGLMLAATLLLRGAALVFNVLQAKLFARLSKDIVYRIRLRLIERLRHIALGEYETLGGGSISAHLVTDLDTLDKFVGETLSRFLVALLTLLGTAAILVWMHWQLALLILLFNPLVIWSTVQLGKRVKHLKKLENDSTARFTQALTETLEAIQEVRAGNRQGYFLGRLGHRAQEVRDYAVASQWKSDAAGRASGLLFQFGIDVFRAAAMLTVLLSDLSIGQMLAVFSYLWFMIGPVEQLLGLQYAYYAAGGALQRINELLARADEPRYPPLRDPFAGRTTVGIEVRGLDFAYGEDKVLEQLDLNIGAGEKVALVGASGGGKSTLVQLLLGLYSAQRGSIRYGGVPLEEIGLDCVREHVAVVLQHPALFNDSVRANLTMGRERSDQACWRALEIAQLADGVRRLPQGLDTVVGRSGVRLSGGQRQRLAIARMILAEPKVVILDEATSALDAATEYALHQALGDFLEGRTTLIVAHRLSAVKQADRVLVFDGGHIAEDGDHQQLIAEGGLYARLYGHLQQM |