Study : gbs1689 (atomeDB@cbs.cnrs.fr)


Main Binding Site Prediction:


Binding Site Prediction

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Binding Site Number :C1_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 C1_S1
Complex: GSH_A_2(4EQ9) / Model_1(4EQ9/A) = [5.3] Download586.8913.19MTIKKVLSVTGIILVTVASLAACSSKSHTTKTGKKEVNFATVGTTAPFSYVKDGKLTGFDIEVAKAVFKGSDNYKVTFKKTEWSSVFTGIDSGKFQMGGNNISYSSERSQKYLFSYPIGSTPSVLAVPKNSNIKAYNDITGHKTQVVQGTTTAKQLENFNKKHQKNPVTLKYTNENITQILTNLSDGKADFKLFDGLTVNAIIKNQGLTNLKTIPLTMRDQPYIYFIFGQDQKDLQKYVNNCLKQLRKDGTLSKIAKEYLGGDYVPNEKDLVTPKEK
Complex: GDS_B_(4C0R) / Model_21(4C0R/B) = [7.3] Download1175.597.93MTIKKVLSVTGIILVTVASLAACSSKSHTTKTGKKEVNFATVGTTAPFSYVKDGKLTGFDIEVAKAVFKGSDNYKVTFKKTEWSSVFTGIDSGKFQMGGNNISYSSERSQKYLFSYPIGSTPSVLAVPKNSNIKAYNDITGHKTQVVQGTTTAKQLENFNKKHQKNPVTLKYTNENITQILTNLSDGKADFKLFDGLTVNAIIKNQGLTNLKTIPLTMRDQPYIYFIFGQDQKDLQKYVNNCLKQLRKDGTLSKIAKEYLGGDYVPNEKDLVTPKEK
Consensus
[pKd Mean = 6.30]
-881
(s=294)
10
(s=2)
MTIKKVLSVTGIILVTVASLAACSSKSHTTKTGKKEVNFATVGTTAPFSYVKDGKLTGFDIEVAKAVFKGSDNYKVTFKKTEWSSVFTGIDSGKFQMGGNNISYSSERSQKYLFSYPIGSTPSVLAVPKNSNIKAYNDITGHKTQVVQGTTTAKQLENFNKKHQKNPVTLKYTNENITQILTNLSDGKADFKLFDGLTVNAIIKNQGLTNLKTIPLTMRDQPYIYFIFGQDQKDLQKYVNNCLKQLRKDGTLSKIAKEYLGGDYVPNEKDLVTPKEK