Study : SA1377 (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] : 3 (5 maxi)

Complexes [Theoretical pKd]FileVolume (A3)
(FPocket)
Hydrophobicity
Score(FPocket)
Contacts Ligand/Receptor [<4A] in Site C1_S1
Complex: BGC_A_2(3VGM) / Model_4(3VGM/A) = [3.4] Download552.116.09MTKIILAADVGGTTCKLGIFTPELEQLHKWSIHTDTSDSTGYTLLKGIYDSFVEKVNENNYNFSNVLGVGIGVPGPVDFEKGTVNGAVNLYWPEKVNVREIFEQFVDCPVYVDNDANIAALGEKHKGAGEGADDVVAITLGTGLGGGIISNGEIVHGHNGSGAEIGHFRADFDQRFKCNCGRSGCIETVASATGVVNLINFYYPKLTFRSSILELIKENKVTAKAVFDAAKAGDQFCIFITEKVANYIGYLCSIISVTSNPKYIVLGGGMSTAGPILIENIKTEYHNLTFAPAQFETEIVQAKLGNDAGITGAAGLIKTYVLDKEGVK
Complex: BMX_A_2(2YI1) / Model_11(2YI1/A) = [3.8] Download503.5917.96MTKIILAADVGGTTCKLGIFTPELEQLHKWSIHTDTSDSTGYTLLKGIYDSFVEKVNENNYNFSNVLGVGIGVPGPVDFEKGTVNGAVNLYWPEKVNVREIFEQFVDCPVYVDNDANIAALGEKHKGAGEGADDVVAITLGTGLGGGIISNGEIVHGHNGSGAEIGHFRADFDQRFKCNCGRSGCIETVASATGVVNLINFYYPKLTFRSSILELIKENKVTAKAVFDAAKAGDQFCIFITEKVANYIGYLCSIISVTSNPKYIVLGGGMSTAGPILIENIKTEYHNLTFAPAQFETEIVQAKLGNDAGITGAAGLIKTYVLDKEGVK
Complex: GLC_C_3(1WOQ) / Model_48(1WOQ/A) = [4.1] Download514.9412.29MTKIILAADVGGTTCKLGIFTPELEQLHKWSIHTDTSDSTGYTLLKGIYDSFVEKVNENNYNFSNVLGVGIGVPGPVDFEKGTVNGAVNLYWPEKVNVREIFEQFVDCPVYVDNDANIAALGEKHKGAGEGADDVVAITLGTGLGGGIISNGEIVHGHNGSGAEIGHFRADFDQRFKCNCGRSGCIETVASATGVVNLINFYYPKLTFRSSILELIKENKVTAKAVFDAAKAGDQFCIFITEKVANYIGYLCSIISVTSNPKYIVLGGGMSTAGPILIENIKTEYHNLTFAPAQFETEIVQAKLGNDAGITGAAGLIKTYVLDKEGVK
Consensus
[pKd Mean = 3.77]
-523
(s=20)
12
(s=4)
MTKIILAADVGGTTCKLGIFTPELEQLHKWSIHTDTSDSTGYTLLKGIYDSFVEKVNENNYNFSNVLGVGIGVPGPVDFEKGTVNGAVNLYWPEKVNVREIFEQFVDCPVYVDNDANIAALGEKHKGAGEGADDVVAITLGTGLGGGIISNGEIVHGHNGSGAEIGHFRADFDQRFKCNCGRSGCIETVASATGVVNLINFYYPKLTFRSSILELIKENKVTAKAVFDAAKAGDQFCIFITEKVANYIGYLCSIISVTSNPKYIVLGGGMSTAGPILIENIKTEYHNLTFAPAQFETEIVQAKLGNDAGITGAAGLIKTYVLDKEGVK