Study : PA1122 (atomeDB@cbs.cnrs.fr)


Main Binding Site Prediction:


Binding Site Prediction

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Binding Site Number :C6_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 C6_S1
Complex: FMT_A_11(1VEZ) / Model_6(1VEZ/A) = [3.1] Download430.8443.69MIREILKMGDERLLRIAQPVPSELFGSEELQRLIDDMFETMHHVGGVGLAAPQIGVDLQLVIFGFERSERYPDAPAVPPTILLNPRVTPLDDEMEEGWEGCLSVPGLRGAVSRHRRIRYQGLDPQDSRSTAASKGSMRGWCSTSATT
Complex: FMT_B_17(1VEZ) / Model_22(1VEZ/B) = [3.3] Download471.1036.64MIREILKMGDERLLRIAQPVPSELFGSEELQRLIDDMFETMHHVGGVGLAAPQIGVDLQLVIFGFERSERYPDAPAVPPTILLNPRVTPLDDEMEEGWEGCLSVPGLRGAVSRHRRIRYQGLDPQDSRSTAASKGSMRGWCSTSATT
Complex: FMT_A_3(1XEO) / Model_105(1XEO/A) = [3.3] Download208.4339.38MIREILKMGDERLLRIAQPVPSELFGSEELQRLIDDMFETMHHVGGVGLAAPQIGVDLQLVIFGFERSERYPDAPAVPPTILLNPRVTPLDDEMEEGWEGCLSVPGLRGAVSRHRRIRYQGLDPQDSRSTAASKGSMRGWCSTSATT
Complex: FMT_A_13(1Y6H) / Model_101(1Y6H/A) = [3.3] Download230.6739.38MIREILKMGDERLLRIAQPVPSELFGSEELQRLIDDMFETMHHVGGVGLAAPQIGVDLQLVIFGFERSERYPDAPAVPPTILLNPRVTPLDDEMEEGWEGCLSVPGLRGAVSRHRRIRYQGLDPQDSRSTAASKGSMRGWCSTSATT
Complex: FMT_A_13(1Y6H) / Model_2(1Y6H/A) = [3.4] Download359.1148.91MIREILKMGDERLLRIAQPVPSELFGSEELQRLIDDMFETMHHVGGVGLAAPQIGVDLQLVIFGFERSERYPDAPAVPPTILLNPRVTPLDDEMEEGWEGCLSVPGLRGAVSRHRRIRYQGLDPQDSRSTAASKGSMRGWCSTSATT
Consensus
[pKd Mean = 3.28]
-340
(s=104)
41
(s=4)
MIREILKMGDERLLRIAQPVPSELFGSEELQRLIDDMFETMHHVGGVGLAAPQIGVDLQLVIFGFERSERYPDAPAVPPTILLNPRVTPLDDEMEEGWEGCLSVPGLRGAVSRHRRIRYQGLDPQDSRSTAASKGSMRGWCSTSATT