Study : jhp_0301 (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] : 4 (5 maxi)

Complexes [Theoretical pKd]FileVolume (A3)
(FPocket)
Hydrophobicity
Score(FPocket)
Contacts Ligand/Receptor [<4A] in Site C5_S1
Complex: EDO_A_4(1VL7) / Model_47(1VL7/A) = [3.1] Download670.4419.71MLNRIIEHMNAHHVEDMKGLLKKFGQVHHAENVAFKSVDPQGIVIGYNNNQTLRIEFNHEVKDPKDYKNAIIELCQSVEKTHDLKGVEEEVKAFRKDFDSVCLATLHPNGHVVCSYAPLMTDGKQYYIYVSEVAEHFAGLKNNPHNVEVMFLEDESKAKSAILRKRLRYKTNARFIERGAEFDKAFDSFIEKTGGAGGIKTIRTMQDFHLIALDFKEGRFVKGFGQAYDILGDKIAYVGDKGNPHNFAHKK
Complex: EDO_A_4(1VL7) / Model_26(1VL7/A) = [3.1] Download732.0219.71MLNRIIEHMNAHHVEDMKGLLKKFGQVHHAENVAFKSVDPQGIVIGYNNNQTLRIEFNHEVKDPKDYKNAIIELCQSVEKTHDLKGVEEEVKAFRKDFDSVCLATLHPNGHVVCSYAPLMTDGKQYYIYVSEVAEHFAGLKNNPHNVEVMFLEDESKAKSAILRKRLRYKTNARFIERGAEFDKAFDSFIEKTGGAGGIKTIRTMQDFHLIALDFKEGRFVKGFGQAYDILGDKIAYVGDKGNPHNFAHKK
Complex: HEM_A_2(3SWJ) / Model_25(3SWJ/A) = [9.2] Download715.4515.23MLNRIIEHMNAHHVEDMKGLLKKFGQVHHAENVAFKSVDPQGIVIGYNNNQTLRIEFNHEVKDPKDYKNAIIELCQSVEKTHDLKGVEEEVKAFRKDFDSVCLATLHPNGHVVCSYAPLMTDGKQYYIYVSEVAEHFAGLKNNPHNVEVMFLEDESKAKSAILRKRLRYKTNARFIERGAEFDKAFDSFIEKTGGAGGIKTIRTMQDFHLIALDFKEGRFVKGFGQAYDILGDKIAYVGDKGNPHNFAHKK
Complex: HEM_A_2(3SWJ) / Model_2(3SWJ/A) = [9.2] Download967.7615.23MLNRIIEHMNAHHVEDMKGLLKKFGQVHHAENVAFKSVDPQGIVIGYNNNQTLRIEFNHEVKDPKDYKNAIIELCQSVEKTHDLKGVEEEVKAFRKDFDSVCLATLHPNGHVVCSYAPLMTDGKQYYIYVSEVAEHFAGLKNNPHNVEVMFLEDESKAKSAILRKRLRYKTNARFIERGAEFDKAFDSFIEKTGGAGGIKTIRTMQDFHLIALDFKEGRFVKGFGQAYDILGDKIAYVGDKGNPHNFAHKK
Consensus
[pKd Mean = 6.15]
-771
(s=115)
17
(s=2)
MLNRIIEHMNAHHVEDMKGLLKKFGQVHHAENVAFKSVDPQGIVIGYNNNQTLRIEFNHEVKDPKDYKNAIIELCQSVEKTHDLKGVEEEVKAFRKDFDSVCLATLHPNGHVVCSYAPLMTDGKQYYIYVSEVAEHFAGLKNNPHNVEVMFLEDESKAKSAILRKRLRYKTNARFIERGAEFDKAFDSFIEKTGGAGGIKTIRTMQDFHLIALDFKEGRFVKGFGQAYDILGDKIAYVGDKGNPHNFAHKK