Study : SA0176 (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_A_7(2JJ4) / Model_3(2JJ4/A) = [3.3] Download371.9116.86MKFIVIKIGGSTLSDMHPSIINNIKHLRSNNIYPIIVHGGGPFINEALSNQQIEPHFVNGLRVTDKATMTITKHTLIADVNTALVAQFNQHQCSAIGLCGLDAQLFEITSFDQQYGYVGVPTALNKDALQYLCTKFVPIINSIGFNNHDGEFYNINADTLAYFIASSLKAPIYVLSNIAGVLINDVVIPQLPLVDIHQYIEHGDIYGGMIPKVLDAKNAIENGCPKVIIASGNKPNIIESIYNNDFVGTTILNS
Complex: NLG_B_8(2JJ4) / Model_39(2JJ4/B) = [3.5] Download484.0215.25MKFIVIKIGGSTLSDMHPSIINNIKHLRSNNIYPIIVHGGGPFINEALSNQQIEPHFVNGLRVTDKATMTITKHTLIADVNTALVAQFNQHQCSAIGLCGLDAQLFEITSFDQQYGYVGVPTALNKDALQYLCTKFVPIINSIGFNNHDGEFYNINADTLAYFIASSLKAPIYVLSNIAGVLINDVVIPQLPLVDIHQYIEHGDIYGGMIPKVLDAKNAIENGCPKVIIASGNKPNIIESIYNNDFVGTTILNS
Complex: X2W_A_3(2X2W) / Model_13(2X2W/A) = [3.7] Download985.3713.21MKFIVIKIGGSTLSDMHPSIINNIKHLRSNNIYPIIVHGGGPFINEALSNQQIEPHFVNGLRVTDKATMTITKHTLIADVNTALVAQFNQHQCSAIGLCGLDAQLFEITSFDQQYGYVGVPTALNKDALQYLCTKFVPIINSIGFNNHDGEFYNINADTLAYFIASSLKAPIYVLSNIAGVLINDVVIPQLPLVDIHQYIEHGDIYGGMIPKVLDAKNAIENGCPKVIIASGNKPNIIESIYNNDFVGTTILNS
Complex: ADP_A_9(2RD5) / Model_5(2RD5/A) = [4.8] Download1200.5914.00MKFIVIKIGGSTLSDMHPSIINNIKHLRSNNIYPIIVHGGGPFINEALSNQQIEPHFVNGLRVTDKATMTITKHTLIADVNTALVAQFNQHQCSAIGLCGLDAQLFEITSFDQQYGYVGVPTALNKDALQYLCTKFVPIINSIGFNNHDGEFYNINADTLAYFIASSLKAPIYVLSNIAGVLINDVVIPQLPLVDIHQYIEHGDIYGGMIPKVLDAKNAIENGCPKVIIASGNKPNIIESIYNNDFVGTTILNS
Complex: ADP_A_3(1OHB) / Model_11(1OHB/A) = [5.0] Download1166.3113.88MKFIVIKIGGSTLSDMHPSIINNIKHLRSNNIYPIIVHGGGPFINEALSNQQIEPHFVNGLRVTDKATMTITKHTLIADVNTALVAQFNQHQCSAIGLCGLDAQLFEITSFDQQYGYVGVPTALNKDALQYLCTKFVPIINSIGFNNHDGEFYNINADTLAYFIASSLKAPIYVLSNIAGVLINDVVIPQLPLVDIHQYIEHGDIYGGMIPKVLDAKNAIENGCPKVIIASGNKPNIIESIYNNDFVGTTILNS
Consensus
[pKd Mean = 4.06]
-841
(s=347)
14
(s=1)
MKFIVIKIGGSTLSDMHPSIINNIKHLRSNNIYPIIVHGGGPFINEALSNQQIEPHFVNGLRVTDKATMTITKHTLIADVNTALVAQFNQHQCSAIGLCGLDAQLFEITSFDQQYGYVGVPTALNKDALQYLCTKFVPIINSIGFNNHDGEFYNINADTLAYFIASSLKAPIYVLSNIAGVLINDVVIPQLPLVDIHQYIEHGDIYGGMIPKVLDAKNAIENGCPKVIIASGNKPNIIESIYNNDFVGTTILNS