| Complexes [Theoretical pKd] | File | Volume (A3)
(FPocket) | Hydrophobicity
Score(FPocket) | Contacts Ligand/Receptor [<4A] in Site C1_S1 |
| Complex: ATP_C_3(1VCI) / Model_61(1VCI/A) = [4.0]
| Download | 792.50 | -10.14 | MIELKEVVKEYRTKNKEVLAVDHVNLSIRAGSIYGVIGFSGAGKSTLIRMFNHLEAPTSGEVIIDGDHIGQLSKNGLRAKRQKVNMIFQHFNLLWSRTVLKNIMFPLEIAGVPRRRAKQKALELVELVGLKGREKAYPSELSGGQKQRVGIARALANDPTVLLCDEATSALDPQTTDEILDLLLKIREQQNLTIVLITHEMHVIRRICDEVAVMESGKVIEHGPVTQVFENPQHTVTKRFVKEDLNDDFETSLTELEPLEKDAYIVRLVFAGSTTTEPIVSSLSTAYDIKINILEANIKNTKNGTVGFLVLHIPYISSVDFGKFEKELIERQVKMEVLRHG |
| Complex: ATP_A_5(1B0U) / Model_141(1B0U/A) = [5.5]
| Download | 1027.68 | -0.50 | MIELKEVVKEYRTKNKEVLAVDHVNLSIRAGSIYGVIGFSGAGKSTLIRMFNHLEAPTSGEVIIDGDHIGQLSKNGLRAKRQKVNMIFQHFNLLWSRTVLKNIMFPLEIAGVPRRRAKQKALELVELVGLKGREKAYPSELSGGQKQRVGIARALANDPTVLLCDEATSALDPQTTDEILDLLLKIREQQNLTIVLITHEMHVIRRICDEVAVMESGKVIEHGPVTQVFENPQHTVTKRFVKEDLNDDFETSLTELEPLEKDAYIVRLVFAGSTTTEPIVSSLSTAYDIKINILEANIKNTKNGTVGFLVLHIPYISSVDFGKFEKELIERQVKMEVLRHG |
| Complex: ADP_B_2(2FF7) / Model_63(2FF7/A) = [5.6]
| Download | 1277.42 | 8.61 | MIELKEVVKEYRTKNKEVLAVDHVNLSIRAGSIYGVIGFSGAGKSTLIRMFNHLEAPTSGEVIIDGDHIGQLSKNGLRAKRQKVNMIFQHFNLLWSRTVLKNIMFPLEIAGVPRRRAKQKALELVELVGLKGREKAYPSELSGGQKQRVGIARALANDPTVLLCDEATSALDPQTTDEILDLLLKIREQQNLTIVLITHEMHVIRRICDEVAVMESGKVIEHGPVTQVFENPQHTVTKRFVKEDLNDDFETSLTELEPLEKDAYIVRLVFAGSTTTEPIVSSLSTAYDIKINILEANIKNTKNGTVGFLVLHIPYISSVDFGKFEKELIERQVKMEVLRHG |
| Complex: ATP_A_5(1B0U) / Model_129(1B0U/A) = [5.7]
| Download | 1075.20 | 4.72 | MIELKEVVKEYRTKNKEVLAVDHVNLSIRAGSIYGVIGFSGAGKSTLIRMFNHLEAPTSGEVIIDGDHIGQLSKNGLRAKRQKVNMIFQHFNLLWSRTVLKNIMFPLEIAGVPRRRAKQKALELVELVGLKGREKAYPSELSGGQKQRVGIARALANDPTVLLCDEATSALDPQTTDEILDLLLKIREQQNLTIVLITHEMHVIRRICDEVAVMESGKVIEHGPVTQVFENPQHTVTKRFVKEDLNDDFETSLTELEPLEKDAYIVRLVFAGSTTTEPIVSSLSTAYDIKINILEANIKNTKNGTVGFLVLHIPYISSVDFGKFEKELIERQVKMEVLRHG |
| Complex: ADP_B_2(2FFA) / Model_76(2FFA/A) = [5.7]
| Download | 1162.44 | 8.61 | MIELKEVVKEYRTKNKEVLAVDHVNLSIRAGSIYGVIGFSGAGKSTLIRMFNHLEAPTSGEVIIDGDHIGQLSKNGLRAKRQKVNMIFQHFNLLWSRTVLKNIMFPLEIAGVPRRRAKQKALELVELVGLKGREKAYPSELSGGQKQRVGIARALANDPTVLLCDEATSALDPQTTDEILDLLLKIREQQNLTIVLITHEMHVIRRICDEVAVMESGKVIEHGPVTQVFENPQHTVTKRFVKEDLNDDFETSLTELEPLEKDAYIVRLVFAGSTTTEPIVSSLSTAYDIKINILEANIKNTKNGTVGFLVLHIPYISSVDFGKFEKELIERQVKMEVLRHG |
Consensus
[pKd Mean = 5.30] | - | 1067
(s=161) | 2
(s=7) | MIELKEVVKEYRTKNKEVLAVDHVNLSIRAGSIYGVIGFSGAGKSTLIRMFNHLEAPTSGEVIIDGDHIGQLSKNGLRAKRQKVNMIFQHFNLLWSRTVLKNIMFPLEIAGVPRRRAKQKALELVELVGLKGREKAYPSELSGGQKQRVGIARALANDPTVLLCDEATSALDPQTTDEILDLLLKIREQQNLTIVLITHEMHVIRRICDEVAVMESGKVIEHGPVTQVFENPQHTVTKRFVKEDLNDDFETSLTELEPLEKDAYIVRLVFAGSTTTEPIVSSLSTAYDIKINILEANIKNTKNGTVGFLVLHIPYISSVDFGKFEKELIERQVKMEVLRHG |