Study : bsu29480 (atomeDB@cbs.cnrs.fr)


Main Binding Site Prediction:


Binding Site Prediction

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Binding Site Number :C4_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 C4_S1
Complex: SAM_A_4(2F8L) / Model_1(2F8L/A) = [8.3] Download911.6037.27MQKDHVGAVYELLNEAAIMIKNELQISYIEALAEAGEMYFLEKTDQLKLPADQKTKQLQALLEKAEFGTYEHEWVRKAFQLAVLKGMKDISHPNRQMTPDTIGLFISYLVNKFMADKKELTILDPALGTGNLLFTVLNQLSEKTANSFGIEIDDVLLKIAYAQANLLKKELELFHQDSLEPLFIDPVDTVICDLPVGYYPNDEGAEAFELKADEGHSFAHHLFIEQSVKHTKPGGYLFFMIPNHLFESSQSGKLKQFFKDKVHINALLQLPKSIFKDEAHAKSILVLQKQGENTKAPGQILLANLPSFSNQKAMLDMMAQFDEWFKKEK
Complex: SAM_A_4(2F8L) / Model_31(2F8L/A) = [9.2] Download856.9837.27MQKDHVGAVYELLNEAAIMIKNELQISYIEALAEAGEMYFLEKTDQLKLPADQKTKQLQALLEKAEFGTYEHEWVRKAFQLAVLKGMKDISHPNRQMTPDTIGLFISYLVNKFMADKKELTILDPALGTGNLLFTVLNQLSEKTANSFGIEIDDVLLKIAYAQANLLKKELELFHQDSLEPLFIDPVDTVICDLPVGYYPNDEGAEAFELKADEGHSFAHHLFIEQSVKHTKPGGYLFFMIPNHLFESSQSGKLKQFFKDKVHINALLQLPKSIFKDEAHAKSILVLQKQGENTKAPGQILLANLPSFSNQKAMLDMMAQFDEWFKKEK
Consensus
[pKd Mean = 8.75]
-884
(s=27)
37
(s=0)
MQKDHVGAVYELLNEAAIMIKNELQISYIEALAEAGEMYFLEKTDQLKLPADQKTKQLQALLEKAEFGTYEHEWVRKAFQLAVLKGMKDISHPNRQMTPDTIGLFISYLVNKFMADKKELTILDPALGTGNLLFTVLNQLSEKTANSFGIEIDDVLLKIAYAQANLLKKELELFHQDSLEPLFIDPVDTVICDLPVGYYPNDEGAEAFELKADEGHSFAHHLFIEQSVKHTKPGGYLFFMIPNHLFESSQSGKLKQFFKDKVHINALLQLPKSIFKDEAHAKSILVLQKQGENTKAPGQILLANLPSFSNQKAMLDMMAQFDEWFKKEK