Study : jhp_1334 (atomeDB@cbs.cnrs.fr)


Main Binding Site Prediction:


Binding Site Prediction

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Binding Site Number :C4_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 C4_S1
Complex: LSA_A_3(4N1O) / Model_52(4N1O/A) = [3.1] Download667.8032.17MKPIKTYDIKEEELAKTAYATIKTNKGNITLELFYKDAPQAVSNFVTLAKEGFYNGLNFHRVIAGFVAQGGCPYGTGTGGPEHRIKCEVAHNPNKHQRGSISMAHAGRDTGGSQFFLCFVDLPHLDGEHTVFGKITSAESLSVLDKIKQGDIIESVVFSPSL
Complex: UNU_A_2(4N1N) / Model_53(4N1N/A) = [3.1] Download429.3637.91MKPIKTYDIKEEELAKTAYATIKTNKGNITLELFYKDAPQAVSNFVTLAKEGFYNGLNFHRVIAGFVAQGGCPYGTGTGGPEHRIKCEVAHNPNKHQRGSISMAHAGRDTGGSQFFLCFVDLPHLDGEHTVFGKITSAESLSVLDKIKQGDIIESVVFSPSL
Complex: WM2_A_2(4N1Q) / Model_50(4N1Q/A) = [3.3] Download467.5137.91MKPIKTYDIKEEELAKTAYATIKTNKGNITLELFYKDAPQAVSNFVTLAKEGFYNGLNFHRVIAGFVAQGGCPYGTGTGGPEHRIKCEVAHNPNKHQRGSISMAHAGRDTGGSQFFLCFVDLPHLDGEHTVFGKITSAESLSVLDKIKQGDIIESVVFSPSL
Complex: 1P3_A_2(1W8L) / Model_100(1W8L/A) = [3.3] Download683.2729.69MKPIKTYDIKEEELAKTAYATIKTNKGNITLELFYKDAPQAVSNFVTLAKEGFYNGLNFHRVIAGFVAQGGCPYGTGTGGPEHRIKCEVAHNPNKHQRGSISMAHAGRDTGGSQFFLCFVDLPHLDGEHTVFGKITSAESLSVLDKIKQGDIIESVVFSPSL
Complex: CHAIN_D_4(1ZKF) / Model_95(1ZKF/B) = [6.1] Download--MKPIKTYDIKEEELAKTAYATIKTNKGNITLELFYKDAPQAVSNFVTLAKEGFYNGLNFHRVIAGFVAQGGCPYGTGTGGPEHRIKCEVAHNPNKHQRGSISMAHAGRDTGGSQFFLCFVDLPHLDGEHTVFGKITSAESLSVLDKIKQGDIIESVVFSPSL
Consensus
[pKd Mean = 3.78]
-561
(s=114)
34
(s=3)
MKPIKTYDIKEEELAKTAYATIKTNKGNITLELFYKDAPQAVSNFVTLAKEGFYNGLNFHRVIAGFVAQGGCPYGTGTGGPEHRIKCEVAHNPNKHQRGSISMAHAGRDTGGSQFFLCFVDLPHLDGEHTVFGKITSAESLSVLDKIKQGDIIESVVFSPSL