Study : Lmo1961 (atomeDB@cbs.cnrs.fr)


Main Binding Site Prediction:


Binding Site Prediction

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Binding Site Number :C3_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 C3_S1
Complex: FAD_A_3(3AB1) / Model_64(3AB1/A) = [9.9] Download582.8216.28LPNEVYDVTIIGGGPIGLFSAFYSGLRSMKTKIIDAEPAVGGKVRYFFPEKIIRDIGGIPAITGENLVANLKQQAETFHPTIVCSERVVDVTKLADGTFQLTSHNGSIHFSKTIVIATGSGTFEVNKLEALHAEDFPFAIHYDVKNIEQFRDKVVVVSGGGNSAIDWAQTLEPIAKKVHLIYRGEDFKAHEESVRELKNSRVEIHIHHEISELIGTNNQLTEITVCCNQTQTTKTIETEALFINHGVKVDLGTMAEWGFKQADFGIVVDDEMKTTVPGIFACGDSATYPRKIRIIAAGLHEGPIAINSAKKYLEPTAADEAMISTHHESFIG
Complex: FAD_A_3(3AB1) / Model_3(3AB1/A) = [9.9] Download647.8516.28LPNEVYDVTIIGGGPIGLFSAFYSGLRSMKTKIIDAEPAVGGKVRYFFPEKIIRDIGGIPAITGENLVANLKQQAETFHPTIVCSERVVDVTKLADGTFQLTSHNGSIHFSKTIVIATGSGTFEVNKLEALHAEDFPFAIHYDVKNIEQFRDKVVVVSGGGNSAIDWAQTLEPIAKKVHLIYRGEDFKAHEESVRELKNSRVEIHIHHEISELIGTNNQLTEITVCCNQTQTTKTIETEALFINHGVKVDLGTMAEWGFKQADFGIVVDDEMKTTVPGIFACGDSATYPRKIRIIAAGLHEGPIAINSAKKYLEPTAADEAMISTHHESFIG
Complex: FAD_B_4(3AB1) / Model_22(3AB1/B) = [12.4] Download579.8414.52LPNEVYDVTIIGGGPIGLFSAFYSGLRSMKTKIIDAEPAVGGKVRYFFPEKIIRDIGGIPAITGENLVANLKQQAETFHPTIVCSERVVDVTKLADGTFQLTSHNGSIHFSKTIVIATGSGTFEVNKLEALHAEDFPFAIHYDVKNIEQFRDKVVVVSGGGNSAIDWAQTLEPIAKKVHLIYRGEDFKAHEESVRELKNSRVEIHIHHEISELIGTNNQLTEITVCCNQTQTTKTIETEALFINHGVKVDLGTMAEWGFKQADFGIVVDDEMKTTVPGIFACGDSATYPRKIRIIAAGLHEGPIAINSAKKYLEPTAADEAMISTHHESFIG
Consensus
[pKd Mean = 10.73]		-603
(s=31)		15
(s=1)		LPNEVYDVTIIGGGPIGLFSAFYSGLRSMKTKIIDAEPAVGGKVRYFFPEKIIRDIGGIPAITGENLVANLKQQAETFHPTIVCSERVVDVTKLADGTFQLTSHNGSIHFSKTIVIATGSGTFEVNKLEALHAEDFPFAIHYDVKNIEQFRDKVVVVSGGGNSAIDWAQTLEPIAKKVHLIYRGEDFKAHEESVRELKNSRVEIHIHHEISELIGTNNQLTEITVCCNQTQTTKTIETEALFINHGVKVDLGTMAEWGFKQADFGIVVDDEMKTTVPGIFACGDSATYPRKIRIIAAGLHEGPIAINSAKKYLEPTAADEAMISTHHESFIG