Study : T0712 (models@predictioncenter.org)


Main Binding Site Prediction:


Binding Site Prediction

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Binding Site Number :C7_S1
Best Complexes choosen after comparative docking [Kd < -3] : 3 (5 maxi)

Complexes [Theoretical Kd]FileVolume (A3)
(FPocket)
Hydrophobicity
Score(FPocket)
Contacts Ligand/Receptor [<4A] in Site C7_S1
Complex: HEM_A_3(3H8T) / Model_22(3H8T/A) = [-6.7] Download--MRKAILFCLAITLLGTMLISFSACNGILSSLYDEPETAKDFGFITIDHANHSGTVRVDATQYTKWNYINLHTLQIDSAKVTAEGADDPDTWDLAIHRYDVKTNGGEVLETDYQSLSALKNAGSMPQGIFVADEWTTNKIAVDVSHMMEDNGYLIYAPSDFNPELSKWLNVDTSEMPPIYTPSNKVYLLRMKDDTMAAIRLVSYMNAAGIKGYMTFDYIYPYEP
Complex: HEM_A_3(3H8T) / Model_21(3U22/A) = [-4.6] Download--MRKAILFCLAITLLGTMLISFSACNGILSSLYDEPETAKDFGFITIDHANHSGTVRVDATQYTKWNYINLHTLQIDSAKVTAEGADDPDTWDLAIHRYDVKTNGGEVLETDYQSLSALKNAGSMPQGIFVADEWTTNKIAVDVSHMMEDNGYLIYAPSDFNPELSKWLNVDTSEMPPIYTPSNKVYLLRMKDDTMAAIRLVSYMNAAGIKGYMTFDYIYPYEP
Complex: UNL_B_12(3U22) / Model_21(3U22/A) = [-3.1] Download--MRKAILFCLAITLLGTMLISFSACNGILSSLYDEPETAKDFGFITIDHANHSGTVRVDATQYTKWNYINLHTLQIDSAKVTAEGADDPDTWDLAIHRYDVKTNGGEVLETDYQSLSALKNAGSMPQGIFVADEWTTNKIAVDVSHMMEDNGYLIYAPSDFNPELSKWLNVDTSEMPPIYTPSNKVYLLRMKDDTMAAIRLVSYMNAAGIKGYMTFDYIYPYEP
Consensus
[Kd Mean = -4.80]
-0
(s=0)
0
(s=0)
MRKAILFCLAITLLGTMLISFSACNGILSSLYDEPETAKDFGFITIDHANHSGTVRVDATQYTKWNYINLHTLQIDSAKVTAEGADDPDTWDLAIHRYDVKTNGGEVLETDYQSLSALKNAGSMPQGIFVADEWTTNKIAVDVSHMMEDNGYLIYAPSDFNPELSKWLNVDTSEMPPIYTPSNKVYLLRMKDDTMAAIRLVSYMNAAGIKGYMTFDYIYPYEP