Study : SA1540 (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: SME_A_3(3KO6) / Model_8(3KO6/A) = [3.1] Download229.738.21MTTINPTNYTLLKKQAASLIEDEHHMIAILSNMSALLNDNLNQINWVGFYLLEQNELILGPFQGHPACVHIPIGKGVCGTAVSERRTQVVADVHQFEGHIACDANSKSEIVVPIFKDDKIIGVLDIDAPITDRFDDNDKEHLEAIVKIIEKQLA
Complex: SME_B_4(3RFB) / Model_25(3RFB/B) = [3.2] Download354.816.29MTTINPTNYTLLKKQAASLIEDEHHMIAILSNMSALLNDNLNQINWVGFYLLEQNELILGPFQGHPACVHIPIGKGVCGTAVSERRTQVVADVHQFEGHIACDANSKSEIVVPIFKDDKIIGVLDIDAPITDRFDDNDKEHLEAIVKIIEKQLA
Complex: MES_C_3(1VHM) / Model_24(1VHM/B) = [3.2] Download371.2513.45MTTINPTNYTLLKKQAASLIEDEHHMIAILSNMSALLNDNLNQINWVGFYLLEQNELILGPFQGHPACVHIPIGKGVCGTAVSERRTQVVADVHQFEGHIACDANSKSEIVVPIFKDDKIIGVLDIDAPITDRFDDNDKEHLEAIVKIIEKQLA
Complex: SME_A_3(3RFB) / Model_6(3RFB/A) = [3.3] Download326.0311.29MTTINPTNYTLLKKQAASLIEDEHHMIAILSNMSALLNDNLNQINWVGFYLLEQNELILGPFQGHPACVHIPIGKGVCGTAVSERRTQVVADVHQFEGHIACDANSKSEIVVPIFKDDKIIGVLDIDAPITDRFDDNDKEHLEAIVKIIEKQLA
Complex: SME_A_3(3RFB) / Model_33(3RFB/A) = [3.3] Download327.3511.29MTTINPTNYTLLKKQAASLIEDEHHMIAILSNMSALLNDNLNQINWVGFYLLEQNELILGPFQGHPACVHIPIGKGVCGTAVSERRTQVVADVHQFEGHIACDANSKSEIVVPIFKDDKIIGVLDIDAPITDRFDDNDKEHLEAIVKIIEKQLA
Consensus
[pKd Mean = 3.22]
-321
(s=49)
10
(s=2)
MTTINPTNYTLLKKQAASLIEDEHHMIAILSNMSALLNDNLNQINWVGFYLLEQNELILGPFQGHPACVHIPIGKGVCGTAVSERRTQVVADVHQFEGHIACDANSKSEIVVPIFKDDKIIGVLDIDAPITDRFDDNDKEHLEAIVKIIEKQLA