Study : bsu16030 (atomeDB@cbs.cnrs.fr)


Main Binding Site Prediction:


Binding Site Prediction

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Binding Site Number :C9_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 C9_S1
Complex: 4GS_A_2(4YQK) / Model_33(4YQK/A) = [4.0] Download460.8626.20MKIDFLTLFPEMFEGVLGSSILQKAQEKDAVQFQVVNFREYSDNKHNTVDDYPYGGGAGMVLKPQPVFDAVEDLTSKAAAAPRIILVCPQGERFTQKKAEQLAKEEHLLFICGHYEGYDERIREHLVTDEISIGDFVLTGGELPAMMIADSVVRLLPGVLGKEASHIEDSFSTGLLEHPHYTRPADYKGLKVPETLLSGNHAKIEEWRNKESIRRTYLRRPDLLKDHPLTEQQRKWISEWEKE
Complex: 4FL_A_2(4YPZ) / Model_18(4YPZ/A) = [4.0] Download397.1021.20MKIDFLTLFPEMFEGVLGSSILQKAQEKDAVQFQVVNFREYSDNKHNTVDDYPYGGGAGMVLKPQPVFDAVEDLTSKAAAAPRIILVCPQGERFTQKKAEQLAKEEHLLFICGHYEGYDERIREHLVTDEISIGDFVLTGGELPAMMIADSVVRLLPGVLGKEASHIEDSFSTGLLEHPHYTRPADYKGLKVPETLLSGNHAKIEEWRNKESIRRTYLRRPDLLKDHPLTEQQRKWISEWEKE
Complex: 4H4_A_2(4YQL) / Model_32(4YQL/A) = [4.2] Download810.4126.20MKIDFLTLFPEMFEGVLGSSILQKAQEKDAVQFQVVNFREYSDNKHNTVDDYPYGGGAGMVLKPQPVFDAVEDLTSKAAAAPRIILVCPQGERFTQKKAEQLAKEEHLLFICGHYEGYDERIREHLVTDEISIGDFVLTGGELPAMMIADSVVRLLPGVLGKEASHIEDSFSTGLLEHPHYTRPADYKGLKVPETLLSGNHAKIEEWRNKESIRRTYLRRPDLLKDHPLTEQQRKWISEWEKE
Complex: 4GY_A_2(4YQG) / Model_36(4YQG/A) = [4.2] Download510.8230.39MKIDFLTLFPEMFEGVLGSSILQKAQEKDAVQFQVVNFREYSDNKHNTVDDYPYGGGAGMVLKPQPVFDAVEDLTSKAAAAPRIILVCPQGERFTQKKAEQLAKEEHLLFICGHYEGYDERIREHLVTDEISIGDFVLTGGELPAMMIADSVVRLLPGVLGKEASHIEDSFSTGLLEHPHYTRPADYKGLKVPETLLSGNHAKIEEWRNKESIRRTYLRRPDLLKDHPLTEQQRKWISEWEKE
Complex: 4F9_A_2(4YPY) / Model_17(4YPY/A) = [4.3] Download448.7021.20MKIDFLTLFPEMFEGVLGSSILQKAQEKDAVQFQVVNFREYSDNKHNTVDDYPYGGGAGMVLKPQPVFDAVEDLTSKAAAAPRIILVCPQGERFTQKKAEQLAKEEHLLFICGHYEGYDERIREHLVTDEISIGDFVLTGGELPAMMIADSVVRLLPGVLGKEASHIEDSFSTGLLEHPHYTRPADYKGLKVPETLLSGNHAKIEEWRNKESIRRTYLRRPDLLKDHPLTEQQRKWISEWEKE
Consensus
[pKd Mean = 4.14]
-525
(s=146)
25
(s=3)
MKIDFLTLFPEMFEGVLGSSILQKAQEKDAVQFQVVNFREYSDNKHNTVDDYPYGGGAGMVLKPQPVFDAVEDLTSKAAAAPRIILVCPQGERFTQKKAEQLAKEEHLLFICGHYEGYDERIREHLVTDEISIGDFVLTGGELPAMMIADSVVRLLPGVLGKEASHIEDSFSTGLLEHPHYTRPADYKGLKVPETLLSGNHAKIEEWRNKESIRRTYLRRPDLLKDHPLTEQQRKWISEWEKE