Study : SA2021 (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] : 5 (5 maxi)

Complexes [Theoretical pKd]FileVolume (A3)
(FPocket)
Hydrophobicity
Score(FPocket)
Contacts Ligand/Receptor [<4A] in Site C1_S1
Complex: AGS_B_6(3C4J) / Model_39(3C4J/B) = [3.7] Download717.09-5.33MEDKNSVIVFKNVSFQYQSDASFTLKDVSFNIPKGQWTSIVGHNGSGKSTIAKLMIGIEKVKSGEIFYNNQAITDDNFEKLRKDIGIVFQNPDNQFVGSIVKYDVAFGLENHAVPHDEMHRRVSEALKQVDMLERADYEPNALSGGQKQRVAIASVLALNPSVIILDEATSMLDPDARQNLLDLVRKVKSEHNITIISITHDLSEAMEADHVIVMNKGTVYKEGTATEIFDHAEELTRIGLDLPFPIKINQMLGHQTSFLTYEGLVDQL
Complex: ATP_A_5(1L2T) / Model_30(1L2T/B) = [3.7] Download1015.2626.46MEDKNSVIVFKNVSFQYQSDASFTLKDVSFNIPKGQWTSIVGHNGSGKSTIAKLMIGIEKVKSGEIFYNNQAITDDNFEKLRKDIGIVFQNPDNQFVGSIVKYDVAFGLENHAVPHDEMHRRVSEALKQVDMLERADYEPNALSGGQKQRVAIASVLALNPSVIILDEATSMLDPDARQNLLDLVRKVKSEHNITIISITHDLSEAMEADHVIVMNKGTVYKEGTATEIFDHAEELTRIGLDLPFPIKINQMLGHQTSFLTYEGLVDQL
Complex: LMT_A_7(4MKI) / Model_21(4MKI/A) = [3.9] Download1325.4743.58MEDKNSVIVFKNVSFQYQSDASFTLKDVSFNIPKGQWTSIVGHNGSGKSTIAKLMIGIEKVKSGEIFYNNQAITDDNFEKLRKDIGIVFQNPDNQFVGSIVKYDVAFGLENHAVPHDEMHRRVSEALKQVDMLERADYEPNALSGGQKQRVAIASVLALNPSVIILDEATSMLDPDARQNLLDLVRKVKSEHNITIISITHDLSEAMEADHVIVMNKGTVYKEGTATEIFDHAEELTRIGLDLPFPIKINQMLGHQTSFLTYEGLVDQL
Complex: ANP_K_6(3C41) / Model_53(3C41/K) = [3.9] Download378.74-12.67MEDKNSVIVFKNVSFQYQSDASFTLKDVSFNIPKGQWTSIVGHNGSGKSTIAKLMIGIEKVKSGEIFYNNQAITDDNFEKLRKDIGIVFQNPDNQFVGSIVKYDVAFGLENHAVPHDEMHRRVSEALKQVDMLERADYEPNALSGGQKQRVAIASVLALNPSVIILDEATSMLDPDARQNLLDLVRKVKSEHNITIISITHDLSEAMEADHVIVMNKGTVYKEGTATEIFDHAEELTRIGLDLPFPIKINQMLGHQTSFLTYEGLVDQL
Complex: ADP_A_5(2Q0H) / Model_42(2Q0H/A) = [4.0] Download582.02-11.46MEDKNSVIVFKNVSFQYQSDASFTLKDVSFNIPKGQWTSIVGHNGSGKSTIAKLMIGIEKVKSGEIFYNNQAITDDNFEKLRKDIGIVFQNPDNQFVGSIVKYDVAFGLENHAVPHDEMHRRVSEALKQVDMLERADYEPNALSGGQKQRVAIASVLALNPSVIILDEATSMLDPDARQNLLDLVRKVKSEHNITIISITHDLSEAMEADHVIVMNKGTVYKEGTATEIFDHAEELTRIGLDLPFPIKINQMLGHQTSFLTYEGLVDQL
Consensus
[pKd Mean = 3.84]
-803
(s=332)
8
(s=22)
MEDKNSVIVFKNVSFQYQSDASFTLKDVSFNIPKGQWTSIVGHNGSGKSTIAKLMIGIEKVKSGEIFYNNQAITDDNFEKLRKDIGIVFQNPDNQFVGSIVKYDVAFGLENHAVPHDEMHRRVSEALKQVDMLERADYEPNALSGGQKQRVAIASVLALNPSVIILDEATSMLDPDARQNLLDLVRKVKSEHNITIISITHDLSEAMEADHVIVMNKGTVYKEGTATEIFDHAEELTRIGLDLPFPIKINQMLGHQTSFLTYEGLVDQL