Study : bsu15140 (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] : 5 (5 maxi)

Complexes [Theoretical pKd]FileVolume (A3)
(FPocket)
Hydrophobicity
Score(FPocket)
Contacts Ligand/Receptor [<4A] in Site C3_S1
Complex: SAH_A_5(1M6Y) / Model_3(1M6Y/A) = [4.7] Download646.2519.17MFQHKTVLLRETVDGLNIKPDGTYVDCTLGGAGHSTYLLQQLSEKGRLIAFDQDDTALQHAKEVLSDYKGQLILIKSNFRYLKEYLNEQGVTEVDGILFDLGVSSPQLDTPERGFSYHHDAPLDMRMDQSATLSAKEVVNEWRYEDLVRIFFKYGEEKFSKQIARKIEEARMKSPIQTTGQLVDLIKDAIPAPARRSGGHPAKRVFQAIRIAVNDELRVFEEALEQAIEVLKPGGRVSVITFHSLEDRICKTTFKEKSSLPELPPGLPVIPEEFEPELKLITRKPITASQEELEENNRARSAKLRIAEKRK
Complex: SAH_A_5(1M6Y) / Model_55(1M6Y/A) = [4.7] Download700.4319.17MFQHKTVLLRETVDGLNIKPDGTYVDCTLGGAGHSTYLLQQLSEKGRLIAFDQDDTALQHAKEVLSDYKGQLILIKSNFRYLKEYLNEQGVTEVDGILFDLGVSSPQLDTPERGFSYHHDAPLDMRMDQSATLSAKEVVNEWRYEDLVRIFFKYGEEKFSKQIARKIEEARMKSPIQTTGQLVDLIKDAIPAPARRSGGHPAKRVFQAIRIAVNDELRVFEEALEQAIEVLKPGGRVSVITFHSLEDRICKTTFKEKSSLPELPPGLPVIPEEFEPELKLITRKPITASQEELEENNRARSAKLRIAEKRK
Complex: SAM_A_5(1N2X) / Model_4(1N2X/A) = [6.4] Download749.7622.34MFQHKTVLLRETVDGLNIKPDGTYVDCTLGGAGHSTYLLQQLSEKGRLIAFDQDDTALQHAKEVLSDYKGQLILIKSNFRYLKEYLNEQGVTEVDGILFDLGVSSPQLDTPERGFSYHHDAPLDMRMDQSATLSAKEVVNEWRYEDLVRIFFKYGEEKFSKQIARKIEEARMKSPIQTTGQLVDLIKDAIPAPARRSGGHPAKRVFQAIRIAVNDELRVFEEALEQAIEVLKPGGRVSVITFHSLEDRICKTTFKEKSSLPELPPGLPVIPEEFEPELKLITRKPITASQEELEENNRARSAKLRIAEKRK
Complex: SAM_A_2(3TKA) / Model_1(3TKA/A) = [8.9] Download880.7025.09MFQHKTVLLRETVDGLNIKPDGTYVDCTLGGAGHSTYLLQQLSEKGRLIAFDQDDTALQHAKEVLSDYKGQLILIKSNFRYLKEYLNEQGVTEVDGILFDLGVSSPQLDTPERGFSYHHDAPLDMRMDQSATLSAKEVVNEWRYEDLVRIFFKYGEEKFSKQIARKIEEARMKSPIQTTGQLVDLIKDAIPAPARRSGGHPAKRVFQAIRIAVNDELRVFEEALEQAIEVLKPGGRVSVITFHSLEDRICKTTFKEKSSLPELPPGLPVIPEEFEPELKLITRKPITASQEELEENNRARSAKLRIAEKRK
Complex: SAM_A_2(3TKA) / Model_54(3TKA/A) = [8.9] Download1017.5925.09MFQHKTVLLRETVDGLNIKPDGTYVDCTLGGAGHSTYLLQQLSEKGRLIAFDQDDTALQHAKEVLSDYKGQLILIKSNFRYLKEYLNEQGVTEVDGILFDLGVSSPQLDTPERGFSYHHDAPLDMRMDQSATLSAKEVVNEWRYEDLVRIFFKYGEEKFSKQIARKIEEARMKSPIQTTGQLVDLIKDAIPAPARRSGGHPAKRVFQAIRIAVNDELRVFEEALEQAIEVLKPGGRVSVITFHSLEDRICKTTFKEKSSLPELPPGLPVIPEEFEPELKLITRKPITASQEELEENNRARSAKLRIAEKRK
Consensus
[pKd Mean = 6.72]
-798
(s=134)
22
(s=2)
MFQHKTVLLRETVDGLNIKPDGTYVDCTLGGAGHSTYLLQQLSEKGRLIAFDQDDTALQHAKEVLSDYKGQLILIKSNFRYLKEYLNEQGVTEVDGILFDLGVSSPQLDTPERGFSYHHDAPLDMRMDQSATLSAKEVVNEWRYEDLVRIFFKYGEEKFSKQIARKIEEARMKSPIQTTGQLVDLIKDAIPAPARRSGGHPAKRVFQAIRIAVNDELRVFEEALEQAIEVLKPGGRVSVITFHSLEDRICKTTFKEKSSLPELPPGLPVIPEEFEPELKLITRKPITASQEELEENNRARSAKLRIAEKRK