| Complexes [Theoretical pKd] | File | Volume (A3)
(FPocket) | Hydrophobicity
Score(FPocket) | Contacts Ligand/Receptor [<4A] in Site C2_S1 |
| Complex: ADP_B_4(4RZ3) / Model_11(4RZ3/A) = [3.3]
| Download | 596.43 | -19.67 | MGEAIVITSGKGGVGKTTSTANLGTALALQGKKVCLIDMDIGLRNLDVVLGLENRIIYDLVDVVEGRCKIHQAMIKDKRFDDLLFLLPAAQTTDKNAVSGEQMVDLINQLRPDYDFILIDCPAGIETGYKNAVAGADKAIVVTTPEISAVRDADRIIGLLEKEDIEPPKLIINRIRTQMMMNGDVMDIDEITTHLSIELLGIIIDDDEVIRSSNSGDPVAMLPNNRASQGYRNIARRILGESIPLMSIETKKAGFFARLKQLFSGK |
| Complex: ADP_B_6(3R9J) / Model_23(3R9J/B) = [7.5]
| Download | 1145.29 | 9.40 | MGEAIVITSGKGGVGKTTSTANLGTALALQGKKVCLIDMDIGLRNLDVVLGLENRIIYDLVDVVEGRCKIHQAMIKDKRFDDLLFLLPAAQTTDKNAVSGEQMVDLINQLRPDYDFILIDCPAGIETGYKNAVAGADKAIVVTTPEISAVRDADRIIGLLEKEDIEPPKLIINRIRTQMMMNGDVMDIDEITTHLSIELLGIIIDDDEVIRSSNSGDPVAMLPNNRASQGYRNIARRILGESIPLMSIETKKAGFFARLKQLFSGK |
| Complex: ADP_D_12(3R9I) / Model_24(3R9I/D) = [7.5]
| Download | 948.86 | 10.62 | MGEAIVITSGKGGVGKTTSTANLGTALALQGKKVCLIDMDIGLRNLDVVLGLENRIIYDLVDVVEGRCKIHQAMIKDKRFDDLLFLLPAAQTTDKNAVSGEQMVDLINQLRPDYDFILIDCPAGIETGYKNAVAGADKAIVVTTPEISAVRDADRIIGLLEKEDIEPPKLIINRIRTQMMMNGDVMDIDEITTHLSIELLGIIIDDDEVIRSSNSGDPVAMLPNNRASQGYRNIARRILGESIPLMSIETKKAGFFARLKQLFSGK |
| Complex: ADP_B_10(3R9I) / Model_26(3R9I/B) = [7.7]
| Download | 935.26 | 10.62 | MGEAIVITSGKGGVGKTTSTANLGTALALQGKKVCLIDMDIGLRNLDVVLGLENRIIYDLVDVVEGRCKIHQAMIKDKRFDDLLFLLPAAQTTDKNAVSGEQMVDLINQLRPDYDFILIDCPAGIETGYKNAVAGADKAIVVTTPEISAVRDADRIIGLLEKEDIEPPKLIINRIRTQMMMNGDVMDIDEITTHLSIELLGIIIDDDEVIRSSNSGDPVAMLPNNRASQGYRNIARRILGESIPLMSIETKKAGFFARLKQLFSGK |
| Complex: ATP_B_6(3Q9L) / Model_27(3Q9L/B) = [7.9]
| Download | 1299.38 | 12.85 | MGEAIVITSGKGGVGKTTSTANLGTALALQGKKVCLIDMDIGLRNLDVVLGLENRIIYDLVDVVEGRCKIHQAMIKDKRFDDLLFLLPAAQTTDKNAVSGEQMVDLINQLRPDYDFILIDCPAGIETGYKNAVAGADKAIVVTTPEISAVRDADRIIGLLEKEDIEPPKLIINRIRTQMMMNGDVMDIDEITTHLSIELLGIIIDDDEVIRSSNSGDPVAMLPNNRASQGYRNIARRILGESIPLMSIETKKAGFFARLKQLFSGK |
Consensus
[pKd Mean = 6.78] | - | 985
(s=236) | 4
(s=12) | MGEAIVITSGKGGVGKTTSTANLGTALALQGKKVCLIDMDIGLRNLDVVLGLENRIIYDLVDVVEGRCKIHQAMIKDKRFDDLLFLLPAAQTTDKNAVSGEQMVDLINQLRPDYDFILIDCPAGIETGYKNAVAGADKAIVVTTPEISAVRDADRIIGLLEKEDIEPPKLIINRIRTQMMMNGDVMDIDEITTHLSIELLGIIIDDDEVIRSSNSGDPVAMLPNNRASQGYRNIARRILGESIPLMSIETKKAGFFARLKQLFSGK |