Study : bsu34920 (atomeDB@cbs.cnrs.fr)


Main Binding Site Prediction:


Binding Site Prediction

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Binding Site Number :C5_S1
Best Complexes choosen after comparative docking [pKd > 3] : 2 (5 maxi)

Complexes [Theoretical pKd]FileVolume (A3)
(FPocket)
Hydrophobicity
Score(FPocket)
Contacts Ligand/Receptor [<4A] in Site C5_S1
Complex: AMP_A_7(1H3D) / Model_10(1H3D/A) = [5.1] Download1063.8615.86MGKLLTMAMPKGRIFEEAAGLLRQAGYRLPEEFEDSRKLIIDVPEENLRFILAKPMDVTTYVEHGVADVGIAGKDVMLEEERDVYEVLDLNISKCHLAVAGLPNTDWSGVAPRIATKYPNVASSYFREQGEQVEIIKLNGSIELAPLIGLADRIVDIVSTGQTLKENGLVETEHICDITSRFIVNPVSYRMKDDVIDEMASRLSLVVEGETAK
Complex: AMP_A_7(1H3D) / Model_47(1H3D/A) = [5.1] Download988.7915.86MGKLLTMAMPKGRIFEEAAGLLRQAGYRLPEEFEDSRKLIIDVPEENLRFILAKPMDVTTYVEHGVADVGIAGKDVMLEEERDVYEVLDLNISKCHLAVAGLPNTDWSGVAPRIATKYPNVASSYFREQGEQVEIIKLNGSIELAPLIGLADRIVDIVSTGQTLKENGLVETEHICDITSRFIVNPVSYRMKDDVIDEMASRLSLVVEGETAK
Consensus
[pKd Mean = 5.10]
-1026
(s=37)
15
(s=0)
MGKLLTMAMPKGRIFEEAAGLLRQAGYRLPEEFEDSRKLIIDVPEENLRFILAKPMDVTTYVEHGVADVGIAGKDVMLEEERDVYEVLDLNISKCHLAVAGLPNTDWSGVAPRIATKYPNVASSYFREQGEQVEIIKLNGSIELAPLIGLADRIVDIVSTGQTLKENGLVETEHICDITSRFIVNPVSYRMKDDVIDEMASRLSLVVEGETAK