Study : PF00194_CAH5A_MOUSE (atomeDB@cbs.cnrs.fr)


Main Binding Site Prediction:


Binding Site Prediction

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Binding Site Number :C3_S1
Best Complexes choosen after comparative docking [pKd > 3] : 5 (5 maxi)

Complexes [Theoretical pKd]FileVolume (A3)
(FPocket)
Hydrophobicity
Score(FPocket)
Contacts Ligand/Receptor [<4A] in Site C3_S1
Complex: AZM_A_5(1DMY) / Model_2(1DMY/A) = [3.1] Download631.4347.80MLRRDPRKPLAILRHVGLLCATGPQRWRFQHSCAEEHSNCARHPLWTGPVSSAEGTRQSPINIQWKDSVYDPQLAPLRVSYDAASCRYLWNTGYFFQVEFDDSCEDSGISGGPLGNHYRLKQFHFHWGATDEWGSEHAVDGHTYPAELHLVHWNSTKYENYKKASVGENGLAVIGVFLKLGAHHQALQKLVDVLPEVRHKDTQVAMGPFDPSCLLPACRDYWTYPGSLTTPPLAESVTWIVQKTPVEVSPSQLSTFRTLLFSGRGEEEDVMVNNYRPLQPLRDRKLRSSFRLDRTKMRS
Complex: GOL_X_3(3TVO) / Model_7(3TVO/X) = [3.1] Download757.5737.00MLRRDPRKPLAILRHVGLLCATGPQRWRFQHSCAEEHSNCARHPLWTGPVSSAEGTRQSPINIQWKDSVYDPQLAPLRVSYDAASCRYLWNTGYFFQVEFDDSCEDSGISGGPLGNHYRLKQFHFHWGATDEWGSEHAVDGHTYPAELHLVHWNSTKYENYKKASVGENGLAVIGVFLKLGAHHQALQKLVDVLPEVRHKDTQVAMGPFDPSCLLPACRDYWTYPGSLTTPPLAESVTWIVQKTPVEVSPSQLSTFRTLLFSGRGEEEDVMVNNYRPLQPLRDRKLRSSFRLDRTKMRS
Complex: TU0_A_3(4BCW) / Model_18(4BCW/A) = [3.1] Download758.7051.85MLRRDPRKPLAILRHVGLLCATGPQRWRFQHSCAEEHSNCARHPLWTGPVSSAEGTRQSPINIQWKDSVYDPQLAPLRVSYDAASCRYLWNTGYFFQVEFDDSCEDSGISGGPLGNHYRLKQFHFHWGATDEWGSEHAVDGHTYPAELHLVHWNSTKYENYKKASVGENGLAVIGVFLKLGAHHQALQKLVDVLPEVRHKDTQVAMGPFDPSCLLPACRDYWTYPGSLTTPPLAESVTWIVQKTPVEVSPSQLSTFRTLLFSGRGEEEDVMVNNYRPLQPLRDRKLRSSFRLDRTKMRS
Complex: AZM_B_6(1DMY) / Model_21(1DMY/B) = [3.3] Download693.4147.80MLRRDPRKPLAILRHVGLLCATGPQRWRFQHSCAEEHSNCARHPLWTGPVSSAEGTRQSPINIQWKDSVYDPQLAPLRVSYDAASCRYLWNTGYFFQVEFDDSCEDSGISGGPLGNHYRLKQFHFHWGATDEWGSEHAVDGHTYPAELHLVHWNSTKYENYKKASVGENGLAVIGVFLKLGAHHQALQKLVDVLPEVRHKDTQVAMGPFDPSCLLPACRDYWTYPGSLTTPPLAESVTWIVQKTPVEVSPSQLSTFRTLLFSGRGEEEDVMVNNYRPLQPLRDRKLRSSFRLDRTKMRS
Complex: AZM_A_3(3ML5) / Model_36(3ML5/A) = [3.5] Download793.1344.71MLRRDPRKPLAILRHVGLLCATGPQRWRFQHSCAEEHSNCARHPLWTGPVSSAEGTRQSPINIQWKDSVYDPQLAPLRVSYDAASCRYLWNTGYFFQVEFDDSCEDSGISGGPLGNHYRLKQFHFHWGATDEWGSEHAVDGHTYPAELHLVHWNSTKYENYKKASVGENGLAVIGVFLKLGAHHQALQKLVDVLPEVRHKDTQVAMGPFDPSCLLPACRDYWTYPGSLTTPPLAESVTWIVQKTPVEVSPSQLSTFRTLLFSGRGEEEDVMVNNYRPLQPLRDRKLRSSFRLDRTKMRS
Consensus
[pKd Mean = 3.22]
-726
(s=57)
45
(s=5)
MLRRDPRKPLAILRHVGLLCATGPQRWRFQHSCAEEHSNCARHPLWTGPVSSAEGTRQSPINIQWKDSVYDPQLAPLRVSYDAASCRYLWNTGYFFQVEFDDSCEDSGISGGPLGNHYRLKQFHFHWGATDEWGSEHAVDGHTYPAELHLVHWNSTKYENYKKASVGENGLAVIGVFLKLGAHHQALQKLVDVLPEVRHKDTQVAMGPFDPSCLLPACRDYWTYPGSLTTPPLAESVTWIVQKTPVEVSPSQLSTFRTLLFSGRGEEEDVMVNNYRPLQPLRDRKLRSSFRLDRTKMRS