Study : bsu37670 (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] : 3 (5 maxi)

Complexes [Theoretical pKd]FileVolume (A3)
(FPocket)		Hydrophobicity
Score(FPocket)		Contacts Ligand/Receptor [<4A] in Site C2_S1
Complex: P33_V_11(1T0T) / Model_1(1T0T/V) = [4.5] Download1280.3036.20MSEQQMTNEAAKTLDGWYALHDFRTMDWASWKLLSSDERQSIIHEFTGLLEKWGVAQKEGKGSQTLYSIVGQKADFMLMILRPTMEELNQIELEFNKSRLAEFTIPAYSYVSVVELSNYLASGDGDPYENPHVRARLYPELPESKYVCFYPMDKRRSGNDNWYMLSMEERRNLMRSHGLIGRSYAGKVKQIITGSVGFDDYEWGVTLFSDDVLQFKKLVYEMRFDEVSARYGEFGSFFVGNHLSLDTLPQFLYV
Complex: P33_V_11(1T0T) / Model_40(1T0T/V) = [4.5] Download1392.3236.20MSEQQMTNEAAKTLDGWYALHDFRTMDWASWKLLSSDERQSIIHEFTGLLEKWGVAQKEGKGSQTLYSIVGQKADFMLMILRPTMEELNQIELEFNKSRLAEFTIPAYSYVSVVELSNYLASGDGDPYENPHVRARLYPELPESKYVCFYPMDKRRSGNDNWYMLSMEERRNLMRSHGLIGRSYAGKVKQIITGSVGFDDYEWGVTLFSDDVLQFKKLVYEMRFDEVSARYGEFGSFFVGNHLSLDTLPQFLYV
Complex: P33_V_11(1T0T) / Model_29(1T0T/V) = [4.5] Download1392.3236.20MSEQQMTNEAAKTLDGWYALHDFRTMDWASWKLLSSDERQSIIHEFTGLLEKWGVAQKEGKGSQTLYSIVGQKADFMLMILRPTMEELNQIELEFNKSRLAEFTIPAYSYVSVVELSNYLASGDGDPYENPHVRARLYPELPESKYVCFYPMDKRRSGNDNWYMLSMEERRNLMRSHGLIGRSYAGKVKQIITGSVGFDDYEWGVTLFSDDVLQFKKLVYEMRFDEVSARYGEFGSFFVGNHLSLDTLPQFLYV
Consensus
[pKd Mean = 4.50]		-1354
(s=52)		36
(s=0)		MSEQQMTNEAAKTLDGWYALHDFRTMDWASWKLLSSDERQSIIHEFTGLLEKWGVAQKEGKGSQTLYSIVGQKADFMLMILRPTMEELNQIELEFNKSRLAEFTIPAYSYVSVVELSNYLASGDGDPYENPHVRARLYPELPESKYVCFYPMDKRRSGNDNWYMLSMEERRNLMRSHGLIGRSYAGKVKQIITGSVGFDDYEWGVTLFSDDVLQFKKLVYEMRFDEVSARYGEFGSFFVGNHLSLDTLPQFLYV