Study : PA0650 (atomeDB@cbs.cnrs.fr)


Main Binding Site Prediction:


Binding Site Prediction

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Binding Site Number :C11_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 C11_S1
Complex: FA0_B_4(4N8Q) / Model_39(4N8Q/B) = [3.2] Download358.9212.41MDIKGALNRIVNQLDLTTEEMQAVMRQIMTGQCTDAQIGAFLMGMRMKSETIDEIVGAVAVMRELADGVQLPTLKHVVDVVGTGGDGANIFNVSSAASFVVAAAGGKVAKHGNRAVSGKSGSADLLEAAGIYLELTSEQVARCIDTVGVGFMFAQVHHKAMKYAAGPRRELGLRTLFNMLGPLTNPAGVRHQVVGVFTQELCKPLAEVLKRLGSEHVLVVHSRDGLDEFSLAAATHIAELKDGEVREYEVRPEDFGIKSQTLMGLEVDSPQASLELIRDALGRRKTEAGQKAAELIVMNAGPALYAADLATSLHEGIQLAHDALHTGLAREKMDELVAFTAVYREENAQ
Complex: PRP_B_6(3GBR) / Model_34(3GBR/B) = [3.3] Download1188.702.87MDIKGALNRIVNQLDLTTEEMQAVMRQIMTGQCTDAQIGAFLMGMRMKSETIDEIVGAVAVMRELADGVQLPTLKHVVDVVGTGGDGANIFNVSSAASFVVAAAGGKVAKHGNRAVSGKSGSADLLEAAGIYLELTSEQVARCIDTVGVGFMFAQVHHKAMKYAAGPRRELGLRTLFNMLGPLTNPAGVRHQVVGVFTQELCKPLAEVLKRLGSEHVLVVHSRDGLDEFSLAAATHIAELKDGEVREYEVRPEDFGIKSQTLMGLEVDSPQASLELIRDALGRRKTEAGQKAAELIVMNAGPALYAADLATSLHEGIQLAHDALHTGLAREKMDELVAFTAVYREENAQ
Complex: 6F0_A_7(4OWO) / Model_17(4OWO/A) = [3.6] Download524.6816.25MDIKGALNRIVNQLDLTTEEMQAVMRQIMTGQCTDAQIGAFLMGMRMKSETIDEIVGAVAVMRELADGVQLPTLKHVVDVVGTGGDGANIFNVSSAASFVVAAAGGKVAKHGNRAVSGKSGSADLLEAAGIYLELTSEQVARCIDTVGVGFMFAQVHHKAMKYAAGPRRELGLRTLFNMLGPLTNPAGVRHQVVGVFTQELCKPLAEVLKRLGSEHVLVVHSRDGLDEFSLAAATHIAELKDGEVREYEVRPEDFGIKSQTLMGLEVDSPQASLELIRDALGRRKTEAGQKAAELIVMNAGPALYAADLATSLHEGIQLAHDALHTGLAREKMDELVAFTAVYREENAQ
Complex: GOL_D_13(2ELC) / Model_35(2ELC/D) = [3.6] Download448.67-3.77MDIKGALNRIVNQLDLTTEEMQAVMRQIMTGQCTDAQIGAFLMGMRMKSETIDEIVGAVAVMRELADGVQLPTLKHVVDVVGTGGDGANIFNVSSAASFVVAAAGGKVAKHGNRAVSGKSGSADLLEAAGIYLELTSEQVARCIDTVGVGFMFAQVHHKAMKYAAGPRRELGLRTLFNMLGPLTNPAGVRHQVVGVFTQELCKPLAEVLKRLGSEHVLVVHSRDGLDEFSLAAATHIAELKDGEVREYEVRPEDFGIKSQTLMGLEVDSPQASLELIRDALGRRKTEAGQKAAELIVMNAGPALYAADLATSLHEGIQLAHDALHTGLAREKMDELVAFTAVYREENAQ
Complex: 6F0_B_14(4OWO) / Model_43(4OWO/B) = [3.6] Download573.3714.91MDIKGALNRIVNQLDLTTEEMQAVMRQIMTGQCTDAQIGAFLMGMRMKSETIDEIVGAVAVMRELADGVQLPTLKHVVDVVGTGGDGANIFNVSSAASFVVAAAGGKVAKHGNRAVSGKSGSADLLEAAGIYLELTSEQVARCIDTVGVGFMFAQVHHKAMKYAAGPRRELGLRTLFNMLGPLTNPAGVRHQVVGVFTQELCKPLAEVLKRLGSEHVLVVHSRDGLDEFSLAAATHIAELKDGEVREYEVRPEDFGIKSQTLMGLEVDSPQASLELIRDALGRRKTEAGQKAAELIVMNAGPALYAADLATSLHEGIQLAHDALHTGLAREKMDELVAFTAVYREENAQ
Consensus
[pKd Mean = 3.46]
-618
(s=294)
8
(s=7)
MDIKGALNRIVNQLDLTTEEMQAVMRQIMTGQCTDAQIGAFLMGMRMKSETIDEIVGAVAVMRELADGVQLPTLKHVVDVVGTGGDGANIFNVSSAASFVVAAAGGKVAKHGNRAVSGKSGSADLLEAAGIYLELTSEQVARCIDTVGVGFMFAQVHHKAMKYAAGPRRELGLRTLFNMLGPLTNPAGVRHQVVGVFTQELCKPLAEVLKRLGSEHVLVVHSRDGLDEFSLAAATHIAELKDGEVREYEVRPEDFGIKSQTLMGLEVDSPQASLELIRDALGRRKTEAGQKAAELIVMNAGPALYAADLATSLHEGIQLAHDALHTGLAREKMDELVAFTAVYREENAQ