Study : bsu29380 (atomeDB@cbs.cnrs.fr)


Main Binding Site Prediction:


Binding Site Prediction

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Binding Site Number :C2_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 C2_S1
Complex: HIS_B_7(4GVO) / Model_21(4GVO/B) = [4.5] Download4308.2624.27MNKRKGLVLLLSVFALLGGGCSQTNNKTDRQAQTVIVGTGTDFPNIAFLNEKGELTGYDIEVMKAIDKELPQYTFEFKTMDFSNLLTSLGNKKIDVIAHNMAKNKEREKRFLYHKVPYNYSPMYITVKEDNHKIHTLKDLHGKTVIVGATSNAADYITKYNKTHGSPIHLKYAGQGSNDTANQIETGRADATIATPFAVDFQNKTHAFRQKTVGDVLLDTEVYFMFNKGSQTLADDTDQAIKKLEKNGTLKKLSRKWLGADYSKSSFEK
Complex: HIS_A_5(4GVO) / Model_23(4GVO/A) = [4.6] Download4216.6023.10MNKRKGLVLLLSVFALLGGGCSQTNNKTDRQAQTVIVGTGTDFPNIAFLNEKGELTGYDIEVMKAIDKELPQYTFEFKTMDFSNLLTSLGNKKIDVIAHNMAKNKEREKRFLYHKVPYNYSPMYITVKEDNHKIHTLKDLHGKTVIVGATSNAADYITKYNKTHGSPIHLKYAGQGSNDTANQIETGRADATIATPFAVDFQNKTHAFRQKTVGDVLLDTEVYFMFNKGSQTLADDTDQAIKKLEKNGTLKKLSRKWLGADYSKSSFEK
Consensus
[pKd Mean = 4.55]
-4262
(s=45)
23
(s=0)
MNKRKGLVLLLSVFALLGGGCSQTNNKTDRQAQTVIVGTGTDFPNIAFLNEKGELTGYDIEVMKAIDKELPQYTFEFKTMDFSNLLTSLGNKKIDVIAHNMAKNKEREKRFLYHKVPYNYSPMYITVKEDNHKIHTLKDLHGKTVIVGATSNAADYITKYNKTHGSPIHLKYAGQGSNDTANQIETGRADATIATPFAVDFQNKTHAFRQKTVGDVLLDTEVYFMFNKGSQTLADDTDQAIKKLEKNGTLKKLSRKWLGADYSKSSFEK