| Complexes [Theoretical pKd] | File | Volume (A3)
(FPocket) | Hydrophobicity
Score(FPocket) | Contacts Ligand/Receptor [<4A] in Site C2_S1 |
| Complex: ATP_A_7(1MV5) / Model_66(1MV5/D) = [3.2]
| Download | 689.04 | 34.50 | MLKDIRKPFQYPKLPIDKKEGAKKRAKAKDTKGTLRRIWSYLAERKGLLILVMLMVVISAIFGLLGPFVIGKAIDHFIVGKTVSGLIPVLLLLLAIYIIQSLSLWFQNYWMITISQGTVFRMRSELFTHLHELPIPFFDKQRHGELMSRVTNDIENVSSTLNTSVIQILSSVITFVGTIAVMLYMSPLLTLITLTIIPVMAASLKWITNRTGKLFKEQQKNLGDLNGYIEESVSGAKVIKAYSREKQITAEFLEKNAALKTSGFWAQTISGFIPKVMNSLNNLSFTMIAAIGGLFALKGWISIGSIVVFAEYSRQFTRPLNDLANQFNTMLSAIAGAERVFDVLDEKEEREDEKNAVHQPIQTGSIEFRDVSFGYDKGQQTLKHLQFTVPAGQSIAFVGPTGAGKTTVTNLLARFYEPNDGKILIDGTDIKTLTRASLRKNMGFVLQDSFLFQGTIRENIRYGRLDASDQEVEAAAKTANAHSFIERLPKGYDTVLTQNGSGISQGQKQLISIARAVLADPVLLILDEATSNIDTVTEVNIQEALARLMEGRTSVIIAHRLNTIQRADQIVVLKNGEMIEKGSHDELIRQKGFYSDLYESQFEK |
| Complex: ATP_H_8(2FGK) / Model_77(2FGK/C) = [4.0]
| Download | 1361.35 | 18.87 | MLKDIRKPFQYPKLPIDKKEGAKKRAKAKDTKGTLRRIWSYLAERKGLLILVMLMVVISAIFGLLGPFVIGKAIDHFIVGKTVSGLIPVLLLLLAIYIIQSLSLWFQNYWMITISQGTVFRMRSELFTHLHELPIPFFDKQRHGELMSRVTNDIENVSSTLNTSVIQILSSVITFVGTIAVMLYMSPLLTLITLTIIPVMAASLKWITNRTGKLFKEQQKNLGDLNGYIEESVSGAKVIKAYSREKQITAEFLEKNAALKTSGFWAQTISGFIPKVMNSLNNLSFTMIAAIGGLFALKGWISIGSIVVFAEYSRQFTRPLNDLANQFNTMLSAIAGAERVFDVLDEKEEREDEKNAVHQPIQTGSIEFRDVSFGYDKGQQTLKHLQFTVPAGQSIAFVGPTGAGKTTVTNLLARFYEPNDGKILIDGTDIKTLTRASLRKNMGFVLQDSFLFQGTIRENIRYGRLDASDQEVEAAAKTANAHSFIERLPKGYDTVLTQNGSGISQGQKQLISIARAVLADPVLLILDEATSNIDTVTEVNIQEALARLMEGRTSVIIAHRLNTIQRADQIVVLKNGEMIEKGSHDELIRQKGFYSDLYESQFEK |
| Complex: AGS_A_3(4S0F) / Model_35(4S0F/B) = [4.1]
| Download | 1489.31 | 8.67 | MLKDIRKPFQYPKLPIDKKEGAKKRAKAKDTKGTLRRIWSYLAERKGLLILVMLMVVISAIFGLLGPFVIGKAIDHFIVGKTVSGLIPVLLLLLAIYIIQSLSLWFQNYWMITISQGTVFRMRSELFTHLHELPIPFFDKQRHGELMSRVTNDIENVSSTLNTSVIQILSSVITFVGTIAVMLYMSPLLTLITLTIIPVMAASLKWITNRTGKLFKEQQKNLGDLNGYIEESVSGAKVIKAYSREKQITAEFLEKNAALKTSGFWAQTISGFIPKVMNSLNNLSFTMIAAIGGLFALKGWISIGSIVVFAEYSRQFTRPLNDLANQFNTMLSAIAGAERVFDVLDEKEEREDEKNAVHQPIQTGSIEFRDVSFGYDKGQQTLKHLQFTVPAGQSIAFVGPTGAGKTTVTNLLARFYEPNDGKILIDGTDIKTLTRASLRKNMGFVLQDSFLFQGTIRENIRYGRLDASDQEVEAAAKTANAHSFIERLPKGYDTVLTQNGSGISQGQKQLISIARAVLADPVLLILDEATSNIDTVTEVNIQEALARLMEGRTSVIIAHRLNTIQRADQIVVLKNGEMIEKGSHDELIRQKGFYSDLYESQFEK |
| Complex: ATP_B_10(1XEF) / Model_89(1XEF/A) = [4.2]
| Download | 969.23 | 21.54 | MLKDIRKPFQYPKLPIDKKEGAKKRAKAKDTKGTLRRIWSYLAERKGLLILVMLMVVISAIFGLLGPFVIGKAIDHFIVGKTVSGLIPVLLLLLAIYIIQSLSLWFQNYWMITISQGTVFRMRSELFTHLHELPIPFFDKQRHGELMSRVTNDIENVSSTLNTSVIQILSSVITFVGTIAVMLYMSPLLTLITLTIIPVMAASLKWITNRTGKLFKEQQKNLGDLNGYIEESVSGAKVIKAYSREKQITAEFLEKNAALKTSGFWAQTISGFIPKVMNSLNNLSFTMIAAIGGLFALKGWISIGSIVVFAEYSRQFTRPLNDLANQFNTMLSAIAGAERVFDVLDEKEEREDEKNAVHQPIQTGSIEFRDVSFGYDKGQQTLKHLQFTVPAGQSIAFVGPTGAGKTTVTNLLARFYEPNDGKILIDGTDIKTLTRASLRKNMGFVLQDSFLFQGTIRENIRYGRLDASDQEVEAAAKTANAHSFIERLPKGYDTVLTQNGSGISQGQKQLISIARAVLADPVLLILDEATSNIDTVTEVNIQEALARLMEGRTSVIIAHRLNTIQRADQIVVLKNGEMIEKGSHDELIRQKGFYSDLYESQFEK |
| Complex: ATP_C_9(1MV5) / Model_68(1MV5/B) = [4.2]
| Download | 944.18 | 26.50 | MLKDIRKPFQYPKLPIDKKEGAKKRAKAKDTKGTLRRIWSYLAERKGLLILVMLMVVISAIFGLLGPFVIGKAIDHFIVGKTVSGLIPVLLLLLAIYIIQSLSLWFQNYWMITISQGTVFRMRSELFTHLHELPIPFFDKQRHGELMSRVTNDIENVSSTLNTSVIQILSSVITFVGTIAVMLYMSPLLTLITLTIIPVMAASLKWITNRTGKLFKEQQKNLGDLNGYIEESVSGAKVIKAYSREKQITAEFLEKNAALKTSGFWAQTISGFIPKVMNSLNNLSFTMIAAIGGLFALKGWISIGSIVVFAEYSRQFTRPLNDLANQFNTMLSAIAGAERVFDVLDEKEEREDEKNAVHQPIQTGSIEFRDVSFGYDKGQQTLKHLQFTVPAGQSIAFVGPTGAGKTTVTNLLARFYEPNDGKILIDGTDIKTLTRASLRKNMGFVLQDSFLFQGTIRENIRYGRLDASDQEVEAAAKTANAHSFIERLPKGYDTVLTQNGSGISQGQKQLISIARAVLADPVLLILDEATSNIDTVTEVNIQEALARLMEGRTSVIIAHRLNTIQRADQIVVLKNGEMIEKGSHDELIRQKGFYSDLYESQFEK |
Consensus
[pKd Mean = 3.94] | - | 1090
(s=293) | 22
(s=8) | MLKDIRKPFQYPKLPIDKKEGAKKRAKAKDTKGTLRRIWSYLAERKGLLILVMLMVVISAIFGLLGPFVIGKAIDHFIVGKTVSGLIPVLLLLLAIYIIQSLSLWFQNYWMITISQGTVFRMRSELFTHLHELPIPFFDKQRHGELMSRVTNDIENVSSTLNTSVIQILSSVITFVGTIAVMLYMSPLLTLITLTIIPVMAASLKWITNRTGKLFKEQQKNLGDLNGYIEESVSGAKVIKAYSREKQITAEFLEKNAALKTSGFWAQTISGFIPKVMNSLNNLSFTMIAAIGGLFALKGWISIGSIVVFAEYSRQFTRPLNDLANQFNTMLSAIAGAERVFDVLDEKEEREDEKNAVHQPIQTGSIEFRDVSFGYDKGQQTLKHLQFTVPAGQSIAFVGPTGAGKTTVTNLLARFYEPNDGKILIDGTDIKTLTRASLRKNMGFVLQDSFLFQGTIRENIRYGRLDASDQEVEAAAKTANAHSFIERLPKGYDTVLTQNGSGISQGQKQLISIARAVLADPVLLILDEATSNIDTVTEVNIQEALARLMEGRTSVIIAHRLNTIQRADQIVVLKNGEMIEKGSHDELIRQKGFYSDLYESQFEK |