Study : Wbm0685 (atomeDB@cbs.cnrs.fr)


Main Binding Site Prediction:


Binding Site Prediction

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Binding Site Number :C1_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 C1_S1
Complex: FAD_A_4(2ZBW) / Model_25(2ZBW/A) = [11.1] Download487.5438.50METDIVVIGAGPVGIFTAFQAGMLDMRCHIIDVLDQAGGQCTALYPEKPIYDIPGYPVITAQKLIEQLMEQASPFEPVYHLSQRVEEIANNDSQSFIVVTSAGTKVKCKAIIIAAGNGIFEPNRPPLSGILEYENKSVFYNVNKISDFQDKIIVIAGGGDSAADWTVELSKVAKKIYVIHRRKEFRCVSETRNKLKLLESSGRIELVVPYQLHKLTGNDGQLSAVIIKNITSKEEKKISADFLLPFFGLSMDLGPIGSWDIQLERSRVVVDQATLRTSRDRIYAIGDVAAYLGKLKLILNGFAESTMACYDIYKVIHNSPVNFQYSTSKVVRGKKSDLL
Complex: FAD_B_6(3LZX) / Model_22(3LZX/B) = [11.4] Download468.3440.73METDIVVIGAGPVGIFTAFQAGMLDMRCHIIDVLDQAGGQCTALYPEKPIYDIPGYPVITAQKLIEQLMEQASPFEPVYHLSQRVEEIANNDSQSFIVVTSAGTKVKCKAIIIAAGNGIFEPNRPPLSGILEYENKSVFYNVNKISDFQDKIIVIAGGGDSAADWTVELSKVAKKIYVIHRRKEFRCVSETRNKLKLLESSGRIELVVPYQLHKLTGNDGQLSAVIIKNITSKEEKKISADFLLPFFGLSMDLGPIGSWDIQLERSRVVVDQATLRTSRDRIYAIGDVAAYLGKLKLILNGFAESTMACYDIYKVIHNSPVNFQYSTSKVVRGKKSDLL
Complex: FAD_A_3(3LZX) / Model_4(3LZX/A) = [11.4] Download392.9339.54METDIVVIGAGPVGIFTAFQAGMLDMRCHIIDVLDQAGGQCTALYPEKPIYDIPGYPVITAQKLIEQLMEQASPFEPVYHLSQRVEEIANNDSQSFIVVTSAGTKVKCKAIIIAAGNGIFEPNRPPLSGILEYENKSVFYNVNKISDFQDKIIVIAGGGDSAADWTVELSKVAKKIYVIHRRKEFRCVSETRNKLKLLESSGRIELVVPYQLHKLTGNDGQLSAVIIKNITSKEEKKISADFLLPFFGLSMDLGPIGSWDIQLERSRVVVDQATLRTSRDRIYAIGDVAAYLGKLKLILNGFAESTMACYDIYKVIHNSPVNFQYSTSKVVRGKKSDLL
Complex: FAD_B_4(3AB1) / Model_21(3AB1/B) = [11.7] Download470.3438.48METDIVVIGAGPVGIFTAFQAGMLDMRCHIIDVLDQAGGQCTALYPEKPIYDIPGYPVITAQKLIEQLMEQASPFEPVYHLSQRVEEIANNDSQSFIVVTSAGTKVKCKAIIIAAGNGIFEPNRPPLSGILEYENKSVFYNVNKISDFQDKIIVIAGGGDSAADWTVELSKVAKKIYVIHRRKEFRCVSETRNKLKLLESSGRIELVVPYQLHKLTGNDGQLSAVIIKNITSKEEKKISADFLLPFFGLSMDLGPIGSWDIQLERSRVVVDQATLRTSRDRIYAIGDVAAYLGKLKLILNGFAESTMACYDIYKVIHNSPVNFQYSTSKVVRGKKSDLL
Complex: FAD_A_2(3LZW) / Model_24(3LZW/A) = [11.9] Download346.0943.53METDIVVIGAGPVGIFTAFQAGMLDMRCHIIDVLDQAGGQCTALYPEKPIYDIPGYPVITAQKLIEQLMEQASPFEPVYHLSQRVEEIANNDSQSFIVVTSAGTKVKCKAIIIAAGNGIFEPNRPPLSGILEYENKSVFYNVNKISDFQDKIIVIAGGGDSAADWTVELSKVAKKIYVIHRRKEFRCVSETRNKLKLLESSGRIELVVPYQLHKLTGNDGQLSAVIIKNITSKEEKKISADFLLPFFGLSMDLGPIGSWDIQLERSRVVVDQATLRTSRDRIYAIGDVAAYLGKLKLILNGFAESTMACYDIYKVIHNSPVNFQYSTSKVVRGKKSDLL
Consensus
[pKd Mean = 11.50]
-433
(s=54)
40
(s=1)
METDIVVIGAGPVGIFTAFQAGMLDMRCHIIDVLDQAGGQCTALYPEKPIYDIPGYPVITAQKLIEQLMEQASPFEPVYHLSQRVEEIANNDSQSFIVVTSAGTKVKCKAIIIAAGNGIFEPNRPPLSGILEYENKSVFYNVNKISDFQDKIIVIAGGGDSAADWTVELSKVAKKIYVIHRRKEFRCVSETRNKLKLLESSGRIELVVPYQLHKLTGNDGQLSAVIIKNITSKEEKKISADFLLPFFGLSMDLGPIGSWDIQLERSRVVVDQATLRTSRDRIYAIGDVAAYLGKLKLILNGFAESTMACYDIYKVIHNSPVNFQYSTSKVVRGKKSDLL