Study : Lmo2376 (atomeDB@cbs.cnrs.fr)


Main Binding Site Prediction:


Binding Site Prediction

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Binding Site Number :C7_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 C7_S1
Complex: UNU_A_2(4N1N) / Model_104(4N1N/A) = [3.1] Download564.2138.64MTYPQLSKEVAPNEIEAEMITNRGTIRIKLFPEIAPKTVENFVTHSKNGYYDGLIFHRVIPEFMIQGGDPDGRGTGGESIWGESFEDEFSTEAFNLRGALSMANAGPNTNGSQFFIVQKPDMPADMLGQMEQAGFPVEVIEAYKQGGTPWLDGRHTVFGHVIEGMDVVDEIANLPTGMQDKPVNDVVIEKINIK
Complex: GLY_A_2(2IGW) / Model_35(2IGW/A) = [3.2] Download4248.5826.81MTYPQLSKEVAPNEIEAEMITNRGTIRIKLFPEIAPKTVENFVTHSKNGYYDGLIFHRVIPEFMIQGGDPDGRGTGGESIWGESFEDEFSTEAFNLRGALSMANAGPNTNGSQFFIVQKPDMPADMLGQMEQAGFPVEVIEAYKQGGTPWLDGRHTVFGHVIEGMDVVDEIANLPTGMQDKPVNDVVIEKINIK
Complex: LSA_A_6(4N1O) / Model_103(4N1O/A) = [3.2] Download483.007.00MTYPQLSKEVAPNEIEAEMITNRGTIRIKLFPEIAPKTVENFVTHSKNGYYDGLIFHRVIPEFMIQGGDPDGRGTGGESIWGESFEDEFSTEAFNLRGALSMANAGPNTNGSQFFIVQKPDMPADMLGQMEQAGFPVEVIEAYKQGGTPWLDGRHTVFGHVIEGMDVVDEIANLPTGMQDKPVNDVVIEKINIK
Complex: WM4_A_3(4N1S) / Model_99(4N1S/A) = [3.2] Download1088.4718.92MTYPQLSKEVAPNEIEAEMITNRGTIRIKLFPEIAPKTVENFVTHSKNGYYDGLIFHRVIPEFMIQGGDPDGRGTGGESIWGESFEDEFSTEAFNLRGALSMANAGPNTNGSQFFIVQKPDMPADMLGQMEQAGFPVEVIEAYKQGGTPWLDGRHTVFGHVIEGMDVVDEIANLPTGMQDKPVNDVVIEKINIK
Complex: PRO_A_3(2IGW) / Model_35(2IGW/A) = [3.3] Download3817.1720.22MTYPQLSKEVAPNEIEAEMITNRGTIRIKLFPEIAPKTVENFVTHSKNGYYDGLIFHRVIPEFMIQGGDPDGRGTGGESIWGESFEDEFSTEAFNLRGALSMANAGPNTNGSQFFIVQKPDMPADMLGQMEQAGFPVEVIEAYKQGGTPWLDGRHTVFGHVIEGMDVVDEIANLPTGMQDKPVNDVVIEKINIK
Consensus
[pKd Mean = 3.20]
-2040
(s=1645)
22
(s=10)
MTYPQLSKEVAPNEIEAEMITNRGTIRIKLFPEIAPKTVENFVTHSKNGYYDGLIFHRVIPEFMIQGGDPDGRGTGGESIWGESFEDEFSTEAFNLRGALSMANAGPNTNGSQFFIVQKPDMPADMLGQMEQAGFPVEVIEAYKQGGTPWLDGRHTVFGHVIEGMDVVDEIANLPTGMQDKPVNDVVIEKINIK