Study : bsu11210 (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: NLG_B_8(2JJ4) / Model_39(2JJ4/B) = [3.2] Download407.2821.12MKKTIVFKCGGSVIRELSEEFYQNLKELRASGWKLAIVHGGGPEITNMLKRLNIKTEFSGGQRKTTKPVLEVAEMVLSGSVNKFFVAELAKHGLRAAGISGKDGGLLEADYLDPETYGEVGEIKKVDASMVNALMENGIIPVIAPLSMTSDCKTLNVNADLAASAVAGALEADKLMFVTDVDGIMKEKQRLDVLTPKEIQMLIKQEVITGGMIPKVNSALSALSDQVSEVMIVNGKGSFFAEQTFQGTKIVKAKEAVS
Complex: X2W_A_3(2X2W) / Model_13(2X2W/A) = [3.7] Download1103.3018.81MKKTIVFKCGGSVIRELSEEFYQNLKELRASGWKLAIVHGGGPEITNMLKRLNIKTEFSGGQRKTTKPVLEVAEMVLSGSVNKFFVAELAKHGLRAAGISGKDGGLLEADYLDPETYGEVGEIKKVDASMVNALMENGIIPVIAPLSMTSDCKTLNVNADLAASAVAGALEADKLMFVTDVDGIMKEKQRLDVLTPKEIQMLIKQEVITGGMIPKVNSALSALSDQVSEVMIVNGKGSFFAEQTFQGTKIVKAKEAVS
Complex: NLG_A_7(2JJ4) / Model_3(2JJ4/A) = [3.9] Download443.4223.32MKKTIVFKCGGSVIRELSEEFYQNLKELRASGWKLAIVHGGGPEITNMLKRLNIKTEFSGGQRKTTKPVLEVAEMVLSGSVNKFFVAELAKHGLRAAGISGKDGGLLEADYLDPETYGEVGEIKKVDASMVNALMENGIIPVIAPLSMTSDCKTLNVNADLAASAVAGALEADKLMFVTDVDGIMKEKQRLDVLTPKEIQMLIKQEVITGGMIPKVNSALSALSDQVSEVMIVNGKGSFFAEQTFQGTKIVKAKEAVS
Complex: ADP_A_3(1OHB) / Model_11(1OHB/A) = [4.0] Download1311.4022.25MKKTIVFKCGGSVIRELSEEFYQNLKELRASGWKLAIVHGGGPEITNMLKRLNIKTEFSGGQRKTTKPVLEVAEMVLSGSVNKFFVAELAKHGLRAAGISGKDGGLLEADYLDPETYGEVGEIKKVDASMVNALMENGIIPVIAPLSMTSDCKTLNVNADLAASAVAGALEADKLMFVTDVDGIMKEKQRLDVLTPKEIQMLIKQEVITGGMIPKVNSALSALSDQVSEVMIVNGKGSFFAEQTFQGTKIVKAKEAVS
Complex: NLG_A_12(3ZZF) / Model_51(3ZZF/A) = [4.8] Download438.2930.09MKKTIVFKCGGSVIRELSEEFYQNLKELRASGWKLAIVHGGGPEITNMLKRLNIKTEFSGGQRKTTKPVLEVAEMVLSGSVNKFFVAELAKHGLRAAGISGKDGGLLEADYLDPETYGEVGEIKKVDASMVNALMENGIIPVIAPLSMTSDCKTLNVNADLAASAVAGALEADKLMFVTDVDGIMKEKQRLDVLTPKEIQMLIKQEVITGGMIPKVNSALSALSDQVSEVMIVNGKGSFFAEQTFQGTKIVKAKEAVS
Consensus
[pKd Mean = 3.92]
-740
(s=386)
23
(s=3)
MKKTIVFKCGGSVIRELSEEFYQNLKELRASGWKLAIVHGGGPEITNMLKRLNIKTEFSGGQRKTTKPVLEVAEMVLSGSVNKFFVAELAKHGLRAAGISGKDGGLLEADYLDPETYGEVGEIKKVDASMVNALMENGIIPVIAPLSMTSDCKTLNVNADLAASAVAGALEADKLMFVTDVDGIMKEKQRLDVLTPKEIQMLIKQEVITGGMIPKVNSALSALSDQVSEVMIVNGKGSFFAEQTFQGTKIVKAKEAVS