| Complexes [Theoretical pKd] | File | Volume (A3)
(FPocket) | Hydrophobicity
Score(FPocket) | Contacts Ligand/Receptor [<4A] in Site C5_S1 |
| Complex: ADP_A_11(2OFX) / Model_127(2OFX/A) = [6.7]
| Download | 752.52 | 16.55 | MAETHTAIVFFAGDRAYKVKKAVDLGFVDYTDRQARRAACVREVALNRRFAPDVYLGVGEVVAPDAEVSEPLVVMRRMPAGRRLSALVRAGADVDEVLRAVARRLAAWHATAPRGRDVDEQGTRDALASRWEASFEQVRATTEGGSGFDGVPEVQRLVRRYLAGREALFDSRIEQRRVVDGHGDLLAEDIFCLDDGPRVLDCLEFDDHLRYVDGLDDAAFLAMDLEQLGAPAAAARFLARYGEYSGDPAPPSLWHHYVAYRAFVRAKVSLIQAEQGAPGVRSAARRLVSTTLRHLRTSAVGLTLVGGLPGSGKSTLSGALADRLGVTLLSSDRLRKELAGIPPESPAPAAYEEGLYTPEWTARTYDILLDRAAALLSRGESVVLDATWSAAELRAAAGRVAERTCADLVALHCQVPDEVAAARLSTRSPGPSDADLGVADALAAREPPWPDAVVVDTSGPLESAVSRALAAVRPWGTDQAPVFRRPSAEPDQDRGAGSSLP |
| Complex: ATP_A_3(1QHX) / Model_106(1QHX/A) = [6.9]
| Download | 1319.07 | 15.43 | MAETHTAIVFFAGDRAYKVKKAVDLGFVDYTDRQARRAACVREVALNRRFAPDVYLGVGEVVAPDAEVSEPLVVMRRMPAGRRLSALVRAGADVDEVLRAVARRLAAWHATAPRGRDVDEQGTRDALASRWEASFEQVRATTEGGSGFDGVPEVQRLVRRYLAGREALFDSRIEQRRVVDGHGDLLAEDIFCLDDGPRVLDCLEFDDHLRYVDGLDDAAFLAMDLEQLGAPAAAARFLARYGEYSGDPAPPSLWHHYVAYRAFVRAKVSLIQAEQGAPGVRSAARRLVSTTLRHLRTSAVGLTLVGGLPGSGKSTLSGALADRLGVTLLSSDRLRKELAGIPPESPAPAAYEEGLYTPEWTARTYDILLDRAAALLSRGESVVLDATWSAAELRAAAGRVAERTCADLVALHCQVPDEVAAARLSTRSPGPSDADLGVADALAAREPPWPDAVVVDTSGPLESAVSRALAAVRPWGTDQAPVFRRPSAEPDQDRGAGSSLP |
| Complex: ADP_B_8(4BZQ) / Model_123(4BZQ/B) = [7.1]
| Download | 1082.17 | 21.18 | MAETHTAIVFFAGDRAYKVKKAVDLGFVDYTDRQARRAACVREVALNRRFAPDVYLGVGEVVAPDAEVSEPLVVMRRMPAGRRLSALVRAGADVDEVLRAVARRLAAWHATAPRGRDVDEQGTRDALASRWEASFEQVRATTEGGSGFDGVPEVQRLVRRYLAGREALFDSRIEQRRVVDGHGDLLAEDIFCLDDGPRVLDCLEFDDHLRYVDGLDDAAFLAMDLEQLGAPAAAARFLARYGEYSGDPAPPSLWHHYVAYRAFVRAKVSLIQAEQGAPGVRSAARRLVSTTLRHLRTSAVGLTLVGGLPGSGKSTLSGALADRLGVTLLSSDRLRKELAGIPPESPAPAAYEEGLYTPEWTARTYDILLDRAAALLSRGESVVLDATWSAAELRAAAGRVAERTCADLVALHCQVPDEVAAARLSTRSPGPSDADLGVADALAAREPPWPDAVVVDTSGPLESAVSRALAAVRPWGTDQAPVFRRPSAEPDQDRGAGSSLP |
| Complex: ADP_A_3(4BZP) / Model_124(4BZP/A) = [7.4]
| Download | 1247.33 | 25.57 | MAETHTAIVFFAGDRAYKVKKAVDLGFVDYTDRQARRAACVREVALNRRFAPDVYLGVGEVVAPDAEVSEPLVVMRRMPAGRRLSALVRAGADVDEVLRAVARRLAAWHATAPRGRDVDEQGTRDALASRWEASFEQVRATTEGGSGFDGVPEVQRLVRRYLAGREALFDSRIEQRRVVDGHGDLLAEDIFCLDDGPRVLDCLEFDDHLRYVDGLDDAAFLAMDLEQLGAPAAAARFLARYGEYSGDPAPPSLWHHYVAYRAFVRAKVSLIQAEQGAPGVRSAARRLVSTTLRHLRTSAVGLTLVGGLPGSGKSTLSGALADRLGVTLLSSDRLRKELAGIPPESPAPAAYEEGLYTPEWTARTYDILLDRAAALLSRGESVVLDATWSAAELRAAAGRVAERTCADLVALHCQVPDEVAAARLSTRSPGPSDADLGVADALAAREPPWPDAVVVDTSGPLESAVSRALAAVRPWGTDQAPVFRRPSAEPDQDRGAGSSLP |
| Complex: DAT_A_4(2PEZ) / Model_138(2PEZ/A) = [7.5]
| Download | 1038.47 | 13.38 | MAETHTAIVFFAGDRAYKVKKAVDLGFVDYTDRQARRAACVREVALNRRFAPDVYLGVGEVVAPDAEVSEPLVVMRRMPAGRRLSALVRAGADVDEVLRAVARRLAAWHATAPRGRDVDEQGTRDALASRWEASFEQVRATTEGGSGFDGVPEVQRLVRRYLAGREALFDSRIEQRRVVDGHGDLLAEDIFCLDDGPRVLDCLEFDDHLRYVDGLDDAAFLAMDLEQLGAPAAAARFLARYGEYSGDPAPPSLWHHYVAYRAFVRAKVSLIQAEQGAPGVRSAARRLVSTTLRHLRTSAVGLTLVGGLPGSGKSTLSGALADRLGVTLLSSDRLRKELAGIPPESPAPAAYEEGLYTPEWTARTYDILLDRAAALLSRGESVVLDATWSAAELRAAAGRVAERTCADLVALHCQVPDEVAAARLSTRSPGPSDADLGVADALAAREPPWPDAVVVDTSGPLESAVSRALAAVRPWGTDQAPVFRRPSAEPDQDRGAGSSLP |
Consensus
[pKd Mean = 7.12] | - | 1087
(s=196) | 18
(s=4) | MAETHTAIVFFAGDRAYKVKKAVDLGFVDYTDRQARRAACVREVALNRRFAPDVYLGVGEVVAPDAEVSEPLVVMRRMPAGRRLSALVRAGADVDEVLRAVARRLAAWHATAPRGRDVDEQGTRDALASRWEASFEQVRATTEGGSGFDGVPEVQRLVRRYLAGREALFDSRIEQRRVVDGHGDLLAEDIFCLDDGPRVLDCLEFDDHLRYVDGLDDAAFLAMDLEQLGAPAAAARFLARYGEYSGDPAPPSLWHHYVAYRAFVRAKVSLIQAEQGAPGVRSAARRLVSTTLRHLRTSAVGLTLVGGLPGSGKSTLSGALADRLGVTLLSSDRLRKELAGIPPESPAPAAYEEGLYTPEWTARTYDILLDRAAALLSRGESVVLDATWSAAELRAAAGRVAERTCADLVALHCQVPDEVAAARLSTRSPGPSDADLGVADALAAREPPWPDAVVVDTSGPLESAVSRALAAVRPWGTDQAPVFRRPSAEPDQDRGAGSSLP |