Study : SA1172 (atomeDB@cbs.cnrs.fr)


Main Binding Site Prediction:


Binding Site Prediction

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Binding Site Number :C2_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 C2_S1
Complex: 2EY_B_8(4MYA) / Model_31(4MYA/B) = [3.4] Download1892.934.43MKIFDYEDIQLIPNKCIVESRSECDTTIQFGPKKFKLPVVPANMQTVMNEKLAKWFAENDYFYIMHRFDEEARIPFIKHMQNSGLFASISVGVKKAEFDFIEKLAQEKLIPEYITIDIAHGHSDSVINMIKHIKNHIPDSFVIAGNVGTPEGVRELENAGADATKVGIGPGRVCITKIKTGFGTGGWQLAALNICSKAARKPLIADGGIRTHGDIAKSIRFGASMVMIGSLFAAHEESPGETVELDGKQYKEYFGSASEFQKGEHKNVEGKKMFVEHKGSLMDTLKEMQQDLQSSISYAGGKDLKSLRTVDYVIVRNSIFNGDRD
Complex: 2EY_A_4(4MYA) / Model_4(4MYA/A) = [3.7] Download1941.341.58MKIFDYEDIQLIPNKCIVESRSECDTTIQFGPKKFKLPVVPANMQTVMNEKLAKWFAENDYFYIMHRFDEEARIPFIKHMQNSGLFASISVGVKKAEFDFIEKLAQEKLIPEYITIDIAHGHSDSVINMIKHIKNHIPDSFVIAGNVGTPEGVRELENAGADATKVGIGPGRVCITKIKTGFGTGGWQLAALNICSKAARKPLIADGGIRTHGDIAKSIRFGASMVMIGSLFAAHEESPGETVELDGKQYKEYFGSASEFQKGEHKNVEGKKMFVEHKGSLMDTLKEMQQDLQSSISYAGGKDLKSLRTVDYVIVRNSIFNGDRD
Complex: 39H_B_8(4QM1) / Model_21(4QM1/D) = [3.8] Download1697.388.92MKIFDYEDIQLIPNKCIVESRSECDTTIQFGPKKFKLPVVPANMQTVMNEKLAKWFAENDYFYIMHRFDEEARIPFIKHMQNSGLFASISVGVKKAEFDFIEKLAQEKLIPEYITIDIAHGHSDSVINMIKHIKNHIPDSFVIAGNVGTPEGVRELENAGADATKVGIGPGRVCITKIKTGFGTGGWQLAALNICSKAARKPLIADGGIRTHGDIAKSIRFGASMVMIGSLFAAHEESPGETVELDGKQYKEYFGSASEFQKGEHKNVEGKKMFVEHKGSLMDTLKEMQQDLQSSISYAGGKDLKSLRTVDYVIVRNSIFNGDRD
Complex: 2F1_B_12(4MZ1) / Model_104(4MZ1/B) = [3.9] Download1573.540.86MKIFDYEDIQLIPNKCIVESRSECDTTIQFGPKKFKLPVVPANMQTVMNEKLAKWFAENDYFYIMHRFDEEARIPFIKHMQNSGLFASISVGVKKAEFDFIEKLAQEKLIPEYITIDIAHGHSDSVINMIKHIKNHIPDSFVIAGNVGTPEGVRELENAGADATKVGIGPGRVCITKIKTGFGTGGWQLAALNICSKAARKPLIADGGIRTHGDIAKSIRFGASMVMIGSLFAAHEESPGETVELDGKQYKEYFGSASEFQKGEHKNVEGKKMFVEHKGSLMDTLKEMQQDLQSSISYAGGKDLKSLRTVDYVIVRNSIFNGDRD
Complex: 39H_C_10(4QM1) / Model_22(4QM1/C) = [4.0] Download1657.067.76MKIFDYEDIQLIPNKCIVESRSECDTTIQFGPKKFKLPVVPANMQTVMNEKLAKWFAENDYFYIMHRFDEEARIPFIKHMQNSGLFASISVGVKKAEFDFIEKLAQEKLIPEYITIDIAHGHSDSVINMIKHIKNHIPDSFVIAGNVGTPEGVRELENAGADATKVGIGPGRVCITKIKTGFGTGGWQLAALNICSKAARKPLIADGGIRTHGDIAKSIRFGASMVMIGSLFAAHEESPGETVELDGKQYKEYFGSASEFQKGEHKNVEGKKMFVEHKGSLMDTLKEMQQDLQSSISYAGGKDLKSLRTVDYVIVRNSIFNGDRD
Consensus
[pKd Mean = 3.76]
-1752
(s=141)
4
(s=3)
MKIFDYEDIQLIPNKCIVESRSECDTTIQFGPKKFKLPVVPANMQTVMNEKLAKWFAENDYFYIMHRFDEEARIPFIKHMQNSGLFASISVGVKKAEFDFIEKLAQEKLIPEYITIDIAHGHSDSVINMIKHIKNHIPDSFVIAGNVGTPEGVRELENAGADATKVGIGPGRVCITKIKTGFGTGGWQLAALNICSKAARKPLIADGGIRTHGDIAKSIRFGASMVMIGSLFAAHEESPGETVELDGKQYKEYFGSASEFQKGEHKNVEGKKMFVEHKGSLMDTLKEMQQDLQSSISYAGGKDLKSLRTVDYVIVRNSIFNGDRD