Study : SA0091 (atomeDB@cbs.cnrs.fr)


Main Binding Site Prediction:


Binding Site Prediction

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Binding Site Number :C5_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 C5_S1
Complex: INS_A_2(3V1H) / Model_13(3V1H/A) = [3.4] Download639.633.94MKKCIKTLFLSIILVVMGGWYHSAHASDSLSKSPENWMSKLDESKHLTEINMPGSHDSGSFTLTDPVKSVWAKTQGKDYLTQMKSGVRFFDIRGRASADNMISVHHGMVYLHHELGKFLDDAKYYLSAYPNETIVMSMKKDYDSDSKVTKTFEEIFREYYYNNPQYQNLFYTGSNANPTLKETKGKIVLFNRMGGTYIKSGYGADTSGIQWADNATFETKINNGSLNLKVQDEYKDYYDKKVEAVKNLLAKAKTDSNKDNVYVNFLSVASGGSAFNSTYNYASHINPEIAKTIKENGKARTGWLIVDYAGYPWPGYDDIVSEIIDSNK
Complex: INS_B_2(1PTG) / Model_16(1PTG/A) = [3.5] Download775.42-1.53MKKCIKTLFLSIILVVMGGWYHSAHASDSLSKSPENWMSKLDESKHLTEINMPGSHDSGSFTLTDPVKSVWAKTQGKDYLTQMKSGVRFFDIRGRASADNMISVHHGMVYLHHELGKFLDDAKYYLSAYPNETIVMSMKKDYDSDSKVTKTFEEIFREYYYNNPQYQNLFYTGSNANPTLKETKGKIVLFNRMGGTYIKSGYGADTSGIQWADNATFETKINNGSLNLKVQDEYKDYYDKKVEAVKNLLAKAKTDSNKDNVYVNFLSVASGGSAFNSTYNYASHINPEIAKTIKENGKARTGWLIVDYAGYPWPGYDDIVSEIIDSNK
Complex: INS_A_3(4F2B) / Model_1(4F2B/A) = [3.6] Download736.234.76MKKCIKTLFLSIILVVMGGWYHSAHASDSLSKSPENWMSKLDESKHLTEINMPGSHDSGSFTLTDPVKSVWAKTQGKDYLTQMKSGVRFFDIRGRASADNMISVHHGMVYLHHELGKFLDDAKYYLSAYPNETIVMSMKKDYDSDSKVTKTFEEIFREYYYNNPQYQNLFYTGSNANPTLKETKGKIVLFNRMGGTYIKSGYGADTSGIQWADNATFETKINNGSLNLKVQDEYKDYYDKKVEAVKNLLAKAKTDSNKDNVYVNFLSVASGGSAFNSTYNYASHINPEIAKTIKENGKARTGWLIVDYAGYPWPGYDDIVSEIIDSNK
Complex: INS_A_3(4I9T) / Model_4(4I9T/A) = [3.6] Download639.463.94MKKCIKTLFLSIILVVMGGWYHSAHASDSLSKSPENWMSKLDESKHLTEINMPGSHDSGSFTLTDPVKSVWAKTQGKDYLTQMKSGVRFFDIRGRASADNMISVHHGMVYLHHELGKFLDDAKYYLSAYPNETIVMSMKKDYDSDSKVTKTFEEIFREYYYNNPQYQNLFYTGSNANPTLKETKGKIVLFNRMGGTYIKSGYGADTSGIQWADNATFETKINNGSLNLKVQDEYKDYYDKKVEAVKNLLAKAKTDSNKDNVYVNFLSVASGGSAFNSTYNYASHINPEIAKTIKENGKARTGWLIVDYAGYPWPGYDDIVSEIIDSNK
Complex: INS_B_8(3EA2) / Model_22(3EA2/B) = [3.7] Download802.771.25MKKCIKTLFLSIILVVMGGWYHSAHASDSLSKSPENWMSKLDESKHLTEINMPGSHDSGSFTLTDPVKSVWAKTQGKDYLTQMKSGVRFFDIRGRASADNMISVHHGMVYLHHELGKFLDDAKYYLSAYPNETIVMSMKKDYDSDSKVTKTFEEIFREYYYNNPQYQNLFYTGSNANPTLKETKGKIVLFNRMGGTYIKSGYGADTSGIQWADNATFETKINNGSLNLKVQDEYKDYYDKKVEAVKNLLAKAKTDSNKDNVYVNFLSVASGGSAFNSTYNYASHINPEIAKTIKENGKARTGWLIVDYAGYPWPGYDDIVSEIIDSNK
Consensus
[pKd Mean = 3.56]
-718
(s=68)
2
(s=2)
MKKCIKTLFLSIILVVMGGWYHSAHASDSLSKSPENWMSKLDESKHLTEINMPGSHDSGSFTLTDPVKSVWAKTQGKDYLTQMKSGVRFFDIRGRASADNMISVHHGMVYLHHELGKFLDDAKYYLSAYPNETIVMSMKKDYDSDSKVTKTFEEIFREYYYNNPQYQNLFYTGSNANPTLKETKGKIVLFNRMGGTYIKSGYGADTSGIQWADNATFETKINNGSLNLKVQDEYKDYYDKKVEAVKNLLAKAKTDSNKDNVYVNFLSVASGGSAFNSTYNYASHINPEIAKTIKENGKARTGWLIVDYAGYPWPGYDDIVSEIIDSNK