Study : Lmo1638 (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] : 3 (5 maxi)

Complexes [Theoretical pKd]FileVolume (A3)
(FPocket)
Hydrophobicity
Score(FPocket)
Contacts Ligand/Receptor [<4A] in Site C7_S1
Complex: GOL_B_5(4MJX) / Model_25(4MJX/B) = [3.1] Download659.33-0.92VIPAKLKQGDEIRIIAPSRSIGIMADNQVEIAVNRLTDMGFKVTFGEHVAEMDCMMSSSIRSRVADIHEAFNDSSVKAILTVIGGFNSNQLLPYLDYDLISENPKILCGFSDITALATAIYTQTELITYSGAHFSSFSMEKGLDYVMESFSDCLLQKEPFALKESATWSDDEWYLDQENRNFIPNEGLVVMQPGVAEGIIIGGNLCTLNLLQGTEYMPNLAGTILFIEDDFMTIPETFDRDLESLLSQPGADEIEGMVIGRFQQKTAMTAEKLAYIIETKTALQKIPVISGADFGHTQPIATFPIGGTARIDTNQTDKIQIIRH
Complex: LMS_B_6(4INJ) / Model_21(4INJ/B) = [4.9] Download747.2517.12VIPAKLKQGDEIRIIAPSRSIGIMADNQVEIAVNRLTDMGFKVTFGEHVAEMDCMMSSSIRSRVADIHEAFNDSSVKAILTVIGGFNSNQLLPYLDYDLISENPKILCGFSDITALATAIYTQTELITYSGAHFSSFSMEKGLDYVMESFSDCLLQKEPFALKESATWSDDEWYLDQENRNFIPNEGLVVMQPGVAEGIIIGGNLCTLNLLQGTEYMPNLAGTILFIEDDFMTIPETFDRDLESLLSQPGADEIEGMVIGRFQQKTAMTAEKLAYIIETKTALQKIPVISGADFGHTQPIATFPIGGTARIDTNQTDKIQIIRH
Complex: LMS_A_3(4INJ) / Model_1(4INJ/A) = [5.1] Download923.5016.16VIPAKLKQGDEIRIIAPSRSIGIMADNQVEIAVNRLTDMGFKVTFGEHVAEMDCMMSSSIRSRVADIHEAFNDSSVKAILTVIGGFNSNQLLPYLDYDLISENPKILCGFSDITALATAIYTQTELITYSGAHFSSFSMEKGLDYVMESFSDCLLQKEPFALKESATWSDDEWYLDQENRNFIPNEGLVVMQPGVAEGIIIGGNLCTLNLLQGTEYMPNLAGTILFIEDDFMTIPETFDRDLESLLSQPGADEIEGMVIGRFQQKTAMTAEKLAYIIETKTALQKIPVISGADFGHTQPIATFPIGGTARIDTNQTDKIQIIRH
Consensus
[pKd Mean = 4.37]
-776
(s=109)
10
(s=8)
VIPAKLKQGDEIRIIAPSRSIGIMADNQVEIAVNRLTDMGFKVTFGEHVAEMDCMMSSSIRSRVADIHEAFNDSSVKAILTVIGGFNSNQLLPYLDYDLISENPKILCGFSDITALATAIYTQTELITYSGAHFSSFSMEKGLDYVMESFSDCLLQKEPFALKESATWSDDEWYLDQENRNFIPNEGLVVMQPGVAEGIIIGGNLCTLNLLQGTEYMPNLAGTILFIEDDFMTIPETFDRDLESLLSQPGADEIEGMVIGRFQQKTAMTAEKLAYIIETKTALQKIPVISGADFGHTQPIATFPIGGTARIDTNQTDKIQIIRH