Study : SA0754 (atomeDB@cbs.cnrs.fr)


Main Binding Site Prediction:


Binding Site Prediction

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Binding Site Number :C3_S1
Best Complexes choosen after comparative docking [pKd > 3] : 1 (5 maxi)

Complexes [Theoretical pKd]FileVolume (A3)
(FPocket)
Hydrophobicity
Score(FPocket)
Contacts Ligand/Receptor [<4A] in Site C3_S1
Complex: NHE_A_5(3G8W) / Model_13(3G8W/A) = [3.6] Download629.4810.30MIEIKTLTNNDFNEYKRLVSTVNEEFTQDSHYSQTMTDTLIHDILNQGSPKCIVFGCYENETLIATAALEQIRYVGKEHKSLIKYNFVTNNDKSINSELINFIINYARQNNYESLLTSIVSNNIGAKVFYSALGFDILGFEKNAIKIGNTYFDEHWLFYDLINK
Consensus
[pKd Mean = 3.60]
-629
(s=0)
10
(s=0)
MIEIKTLTNNDFNEYKRLVSTVNEEFTQDSHYSQTMTDTLIHDILNQGSPKCIVFGCYENETLIATAALEQIRYVGKEHKSLIKYNFVTNNDKSINSELINFIINYARQNNYESLLTSIVSNNIGAKVFYSALGFDILGFEKNAIKIGNTYFDEHWLFYDLINK