Study : Lmo1927 (atomeDB@cbs.cnrs.fr)


Main Binding Site Prediction:


Binding Site Prediction

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Binding Site Number :C5_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 C5_S1
Complex: EXO_A_9(2GRU) / Model_19(2GRU/A) = [3.6] Download540.94-3.76MPEITVRAKSKTYPVYINEFALEDIREKWTKSLAKFSHVFVLTDGHVAELHKAKLDAVLADLPVVTYYVAPNGEEAKTFRVYEDVMTKMIETGLDRKAVLIAFGGGVIGDLGGFVAATYMRGIPFYQVPTTVLAHDSAVGGKVAINHPLGKNMIGNFYQPEAVIYDTQFFATLPERELRSGFAEMIKHALISDLTLLRALMDTFTEPKDFYTKDLTPFLQRGIEIKANIVAQDETEQGVRAYLNFGHTFGHALEAYGNFGKWLHGEAITYGMIYALTMSETIYGLDFDLAEFKTWLEQLGYDTTFDASVPFSKILENMRHDKKTTFNEISMVLLEEIGKPVIFKADDDLIFETYKRVMRKGGNVI
Complex: ADP_B_7(1NVA) / Model_34(1NVA/B) = [3.9] Download1500.6915.75MPEITVRAKSKTYPVYINEFALEDIREKWTKSLAKFSHVFVLTDGHVAELHKAKLDAVLADLPVVTYYVAPNGEEAKTFRVYEDVMTKMIETGLDRKAVLIAFGGGVIGDLGGFVAATYMRGIPFYQVPTTVLAHDSAVGGKVAINHPLGKNMIGNFYQPEAVIYDTQFFATLPERELRSGFAEMIKHALISDLTLLRALMDTFTEPKDFYTKDLTPFLQRGIEIKANIVAQDETEQGVRAYLNFGHTFGHALEAYGNFGKWLHGEAITYGMIYALTMSETIYGLDFDLAEFKTWLEQLGYDTTFDASVPFSKILENMRHDKKTTFNEISMVLLEEIGKPVIFKADDDLIFETYKRVMRKGGNVI
Complex: ADP_A_11(1NVF) / Model_16(1NVF/A) = [4.0] Download1233.8218.54MPEITVRAKSKTYPVYINEFALEDIREKWTKSLAKFSHVFVLTDGHVAELHKAKLDAVLADLPVVTYYVAPNGEEAKTFRVYEDVMTKMIETGLDRKAVLIAFGGGVIGDLGGFVAATYMRGIPFYQVPTTVLAHDSAVGGKVAINHPLGKNMIGNFYQPEAVIYDTQFFATLPERELRSGFAEMIKHALISDLTLLRALMDTFTEPKDFYTKDLTPFLQRGIEIKANIVAQDETEQGVRAYLNFGHTFGHALEAYGNFGKWLHGEAITYGMIYALTMSETIYGLDFDLAEFKTWLEQLGYDTTFDASVPFSKILENMRHDKKTTFNEISMVLLEEIGKPVIFKADDDLIFETYKRVMRKGGNVI
Complex: ADP_C_13(1NVF) / Model_28(1NVF/C) = [4.0] Download1428.3419.29MPEITVRAKSKTYPVYINEFALEDIREKWTKSLAKFSHVFVLTDGHVAELHKAKLDAVLADLPVVTYYVAPNGEEAKTFRVYEDVMTKMIETGLDRKAVLIAFGGGVIGDLGGFVAATYMRGIPFYQVPTTVLAHDSAVGGKVAINHPLGKNMIGNFYQPEAVIYDTQFFATLPERELRSGFAEMIKHALISDLTLLRALMDTFTEPKDFYTKDLTPFLQRGIEIKANIVAQDETEQGVRAYLNFGHTFGHALEAYGNFGKWLHGEAITYGMIYALTMSETIYGLDFDLAEFKTWLEQLGYDTTFDASVPFSKILENMRHDKKTTFNEISMVLLEEIGKPVIFKADDDLIFETYKRVMRKGGNVI
Complex: ADP_B_12(1NVF) / Model_29(1NVF/B) = [4.1] Download1226.6518.54MPEITVRAKSKTYPVYINEFALEDIREKWTKSLAKFSHVFVLTDGHVAELHKAKLDAVLADLPVVTYYVAPNGEEAKTFRVYEDVMTKMIETGLDRKAVLIAFGGGVIGDLGGFVAATYMRGIPFYQVPTTVLAHDSAVGGKVAINHPLGKNMIGNFYQPEAVIYDTQFFATLPERELRSGFAEMIKHALISDLTLLRALMDTFTEPKDFYTKDLTPFLQRGIEIKANIVAQDETEQGVRAYLNFGHTFGHALEAYGNFGKWLHGEAITYGMIYALTMSETIYGLDFDLAEFKTWLEQLGYDTTFDASVPFSKILENMRHDKKTTFNEISMVLLEEIGKPVIFKADDDLIFETYKRVMRKGGNVI
Consensus
[pKd Mean = 3.92]
-1186
(s=339)
13
(s=8)
MPEITVRAKSKTYPVYINEFALEDIREKWTKSLAKFSHVFVLTDGHVAELHKAKLDAVLADLPVVTYYVAPNGEEAKTFRVYEDVMTKMIETGLDRKAVLIAFGGGVIGDLGGFVAATYMRGIPFYQVPTTVLAHDSAVGGKVAINHPLGKNMIGNFYQPEAVIYDTQFFATLPERELRSGFAEMIKHALISDLTLLRALMDTFTEPKDFYTKDLTPFLQRGIEIKANIVAQDETEQGVRAYLNFGHTFGHALEAYGNFGKWLHGEAITYGMIYALTMSETIYGLDFDLAEFKTWLEQLGYDTTFDASVPFSKILENMRHDKKTTFNEISMVLLEEIGKPVIFKADDDLIFETYKRVMRKGGNVI