Study : jhp_0196 (atomeDB@cbs.cnrs.fr)


Main Binding Site Prediction:


Binding Site Prediction

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Binding Site Number :C2_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 C2_S1
Complex: ANP_A_8(2O1U) / Model_123(2O1U/A) = [4.7] Download1094.7718.31MSNQEYTFQTEINQLLDLMIHSLYSNKEIFLRELISNASDALDKLNYLMLTDEKLKGLNTTPSIHLSFDSQKKTLTIKDNGIGMDKSDLIEHLGTIAKSGTKSFLSALSGDKKKDSALIGQFGVGFYSAFMVASKIVVQTKKVTSHQAYAWVSDGKGKFEISECVKEEQGTEITLFLKEEDSHFASRWEIDSVVKKYSEHIPFPIFLTYTDTKFEGEGDNKKEVKEEKCDQINQASALWKMNKSELKEKDYKDFYQSFAHDNSEPLSYIHNKVEGSLEYTTLFYIPSKAPFDLFRVDYKSGVKLYVKRVFITDDDKELLPSYLRFVKGVIDSEDLPLNVSREILQQNKILANIRSASVKKILSEIERLSKDNKNYHKFYEPFGKVLKEGLYGDFENKEKLLELLRFYSKDKGEWISLKEYKENLKENQKSIYYLLGENLDLLKASPLLEKYAQKGYDVLLLSDEIDAFVMPGVNEYDKTPFRDASHSESLKELGLAEIHDEVKDQFKDLIKAFEENLKDEIKGVELSGHLTSAVALIGDEPNAMMANWMRQMGQSVPESKKTLELNPNHAILQKLLKCEDKEQLSAFIWLLYDGAKLLEKGALKDAKSFNERLNSVLLKAL
Complex: ADP_B_8(2O1V) / Model_24(2O1V/B) = [4.7] Download1217.2419.96MSNQEYTFQTEINQLLDLMIHSLYSNKEIFLRELISNASDALDKLNYLMLTDEKLKGLNTTPSIHLSFDSQKKTLTIKDNGIGMDKSDLIEHLGTIAKSGTKSFLSALSGDKKKDSALIGQFGVGFYSAFMVASKIVVQTKKVTSHQAYAWVSDGKGKFEISECVKEEQGTEITLFLKEEDSHFASRWEIDSVVKKYSEHIPFPIFLTYTDTKFEGEGDNKKEVKEEKCDQINQASALWKMNKSELKEKDYKDFYQSFAHDNSEPLSYIHNKVEGSLEYTTLFYIPSKAPFDLFRVDYKSGVKLYVKRVFITDDDKELLPSYLRFVKGVIDSEDLPLNVSREILQQNKILANIRSASVKKILSEIERLSKDNKNYHKFYEPFGKVLKEGLYGDFENKEKLLELLRFYSKDKGEWISLKEYKENLKENQKSIYYLLGENLDLLKASPLLEKYAQKGYDVLLLSDEIDAFVMPGVNEYDKTPFRDASHSESLKELGLAEIHDEVKDQFKDLIKAFEENLKDEIKGVELSGHLTSAVALIGDEPNAMMANWMRQMGQSVPESKKTLELNPNHAILQKLLKCEDKEQLSAFIWLLYDGAKLLEKGALKDAKSFNERLNSVLLKAL
Complex: ANP_A_8(2O1U) / Model_5(2O1U/A) = [4.7] Download1222.7418.31MSNQEYTFQTEINQLLDLMIHSLYSNKEIFLRELISNASDALDKLNYLMLTDEKLKGLNTTPSIHLSFDSQKKTLTIKDNGIGMDKSDLIEHLGTIAKSGTKSFLSALSGDKKKDSALIGQFGVGFYSAFMVASKIVVQTKKVTSHQAYAWVSDGKGKFEISECVKEEQGTEITLFLKEEDSHFASRWEIDSVVKKYSEHIPFPIFLTYTDTKFEGEGDNKKEVKEEKCDQINQASALWKMNKSELKEKDYKDFYQSFAHDNSEPLSYIHNKVEGSLEYTTLFYIPSKAPFDLFRVDYKSGVKLYVKRVFITDDDKELLPSYLRFVKGVIDSEDLPLNVSREILQQNKILANIRSASVKKILSEIERLSKDNKNYHKFYEPFGKVLKEGLYGDFENKEKLLELLRFYSKDKGEWISLKEYKENLKENQKSIYYLLGENLDLLKASPLLEKYAQKGYDVLLLSDEIDAFVMPGVNEYDKTPFRDASHSESLKELGLAEIHDEVKDQFKDLIKAFEENLKDEIKGVELSGHLTSAVALIGDEPNAMMANWMRQMGQSVPESKKTLELNPNHAILQKLLKCEDKEQLSAFIWLLYDGAKLLEKGALKDAKSFNERLNSVLLKAL
Complex: ANP_A_8(2O1U) / Model_102(2O1U/A) = [4.7] Download1299.8818.31MSNQEYTFQTEINQLLDLMIHSLYSNKEIFLRELISNASDALDKLNYLMLTDEKLKGLNTTPSIHLSFDSQKKTLTIKDNGIGMDKSDLIEHLGTIAKSGTKSFLSALSGDKKKDSALIGQFGVGFYSAFMVASKIVVQTKKVTSHQAYAWVSDGKGKFEISECVKEEQGTEITLFLKEEDSHFASRWEIDSVVKKYSEHIPFPIFLTYTDTKFEGEGDNKKEVKEEKCDQINQASALWKMNKSELKEKDYKDFYQSFAHDNSEPLSYIHNKVEGSLEYTTLFYIPSKAPFDLFRVDYKSGVKLYVKRVFITDDDKELLPSYLRFVKGVIDSEDLPLNVSREILQQNKILANIRSASVKKILSEIERLSKDNKNYHKFYEPFGKVLKEGLYGDFENKEKLLELLRFYSKDKGEWISLKEYKENLKENQKSIYYLLGENLDLLKASPLLEKYAQKGYDVLLLSDEIDAFVMPGVNEYDKTPFRDASHSESLKELGLAEIHDEVKDQFKDLIKAFEENLKDEIKGVELSGHLTSAVALIGDEPNAMMANWMRQMGQSVPESKKTLELNPNHAILQKLLKCEDKEQLSAFIWLLYDGAKLLEKGALKDAKSFNERLNSVLLKAL
Complex: ANP_B_9(2O1U) / Model_25(2O1U/B) = [4.9] Download1378.7318.12MSNQEYTFQTEINQLLDLMIHSLYSNKEIFLRELISNASDALDKLNYLMLTDEKLKGLNTTPSIHLSFDSQKKTLTIKDNGIGMDKSDLIEHLGTIAKSGTKSFLSALSGDKKKDSALIGQFGVGFYSAFMVASKIVVQTKKVTSHQAYAWVSDGKGKFEISECVKEEQGTEITLFLKEEDSHFASRWEIDSVVKKYSEHIPFPIFLTYTDTKFEGEGDNKKEVKEEKCDQINQASALWKMNKSELKEKDYKDFYQSFAHDNSEPLSYIHNKVEGSLEYTTLFYIPSKAPFDLFRVDYKSGVKLYVKRVFITDDDKELLPSYLRFVKGVIDSEDLPLNVSREILQQNKILANIRSASVKKILSEIERLSKDNKNYHKFYEPFGKVLKEGLYGDFENKEKLLELLRFYSKDKGEWISLKEYKENLKENQKSIYYLLGENLDLLKASPLLEKYAQKGYDVLLLSDEIDAFVMPGVNEYDKTPFRDASHSESLKELGLAEIHDEVKDQFKDLIKAFEENLKDEIKGVELSGHLTSAVALIGDEPNAMMANWMRQMGQSVPESKKTLELNPNHAILQKLLKCEDKEQLSAFIWLLYDGAKLLEKGALKDAKSFNERLNSVLLKAL
Consensus
[pKd Mean = 4.74]
-1242
(s=94)
18
(s=0)
MSNQEYTFQTEINQLLDLMIHSLYSNKEIFLRELISNASDALDKLNYLMLTDEKLKGLNTTPSIHLSFDSQKKTLTIKDNGIGMDKSDLIEHLGTIAKSGTKSFLSALSGDKKKDSALIGQFGVGFYSAFMVASKIVVQTKKVTSHQAYAWVSDGKGKFEISECVKEEQGTEITLFLKEEDSHFASRWEIDSVVKKYSEHIPFPIFLTYTDTKFEGEGDNKKEVKEEKCDQINQASALWKMNKSELKEKDYKDFYQSFAHDNSEPLSYIHNKVEGSLEYTTLFYIPSKAPFDLFRVDYKSGVKLYVKRVFITDDDKELLPSYLRFVKGVIDSEDLPLNVSREILQQNKILANIRSASVKKILSEIERLSKDNKNYHKFYEPFGKVLKEGLYGDFENKEKLLELLRFYSKDKGEWISLKEYKENLKENQKSIYYLLGENLDLLKASPLLEKYAQKGYDVLLLSDEIDAFVMPGVNEYDKTPFRDASHSESLKELGLAEIHDEVKDQFKDLIKAFEENLKDEIKGVELSGHLTSAVALIGDEPNAMMANWMRQMGQSVPESKKTLELNPNHAILQKLLKCEDKEQLSAFIWLLYDGAKLLEKGALKDAKSFNERLNSVLLKAL