Study : SA0470 (atomeDB@cbs.cnrs.fr)


Main Binding Site Prediction:


Binding Site Prediction

Download fasta file
Download text file


Binding Site Number :C3_S1
Best Complexes choosen after comparative docking [pKd > 3] : 3 (5 maxi)

Complexes [Theoretical pKd]FileVolume (A3)
(FPocket)
Hydrophobicity
Score(FPocket)
Contacts Ligand/Receptor [<4A] in Site C3_S1
Complex: UNL_A_7(1VQ0) / Model_22(1VQ0/A) = [3.9] Download830.24-13.77MTHDYIVKALAFDGEIRAYAALTTETVQEAQTRHYTWPTASAAMGRTMTATAMMGAMLKGDQKLTVTVDGQGPIGRIIADANAKGEVRAYVDHPQTHFPLNEQGKLDVRRAVGTNGSIIVVKDVGMKDYFSGASPIVSGELGEDFTYYYATSEQTPSSVGLGVLVNPDNTIKAAGGFIIQVMPGAKDETISKLEKAISEMTPVSKLIEQGLTPEGLLNEILGEDHVQILEKMPVQFECNCSHEKFLNAIKGLGEAEIQNMIKEDHGAEAVCHFCGNKYKYTEEELNVLLESLA
Complex: UNL_A_7(1VQ0) / Model_2(1VQ0/A) = [3.9] Download904.88-13.77MTHDYIVKALAFDGEIRAYAALTTETVQEAQTRHYTWPTASAAMGRTMTATAMMGAMLKGDQKLTVTVDGQGPIGRIIADANAKGEVRAYVDHPQTHFPLNEQGKLDVRRAVGTNGSIIVVKDVGMKDYFSGASPIVSGELGEDFTYYYATSEQTPSSVGLGVLVNPDNTIKAAGGFIIQVMPGAKDETISKLEKAISEMTPVSKLIEQGLTPEGLLNEILGEDHVQILEKMPVQFECNCSHEKFLNAIKGLGEAEIQNMIKEDHGAEAVCHFCGNKYKYTEEELNVLLESLA
Complex: UNL_B_8(1VQ0) / Model_20(1VQ0/B) = [4.0] Download709.61-13.77MTHDYIVKALAFDGEIRAYAALTTETVQEAQTRHYTWPTASAAMGRTMTATAMMGAMLKGDQKLTVTVDGQGPIGRIIADANAKGEVRAYVDHPQTHFPLNEQGKLDVRRAVGTNGSIIVVKDVGMKDYFSGASPIVSGELGEDFTYYYATSEQTPSSVGLGVLVNPDNTIKAAGGFIIQVMPGAKDETISKLEKAISEMTPVSKLIEQGLTPEGLLNEILGEDHVQILEKMPVQFECNCSHEKFLNAIKGLGEAEIQNMIKEDHGAEAVCHFCGNKYKYTEEELNVLLESLA
Consensus
[pKd Mean = 3.93]
-814
(s=80)
-13
(s=0)
MTHDYIVKALAFDGEIRAYAALTTETVQEAQTRHYTWPTASAAMGRTMTATAMMGAMLKGDQKLTVTVDGQGPIGRIIADANAKGEVRAYVDHPQTHFPLNEQGKLDVRRAVGTNGSIIVVKDVGMKDYFSGASPIVSGELGEDFTYYYATSEQTPSSVGLGVLVNPDNTIKAAGGFIIQVMPGAKDETISKLEKAISEMTPVSKLIEQGLTPEGLLNEILGEDHVQILEKMPVQFECNCSHEKFLNAIKGLGEAEIQNMIKEDHGAEAVCHFCGNKYKYTEEELNVLLESLA