Study : bsu15530 (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: FAD_B_4(1EP1) / Model_2(1EP1/B) = [9.1] Download618.8527.03MKKAYLTVCSNQQIADRVFQMVLKGELVQGFTTPGQFLHLKVSEAVTPLLRRPISIADVNFEKNEVTIIYRVDGEGTRLLSLKQQGELVDVLGPLGNGFPVNEVQPGKTALLVGGGVGVPPLQELSKRLIEKGVNVIHVLGFQSAKDVFYEEECRQYGDTYVATADGSYGETGFVTDVIKRKKLEFDILLSCGPTPMLKALKQEYAHKEVYLSMEERMGCGIGACFACVCHTNESETSYVKVCLDGPVFKAQEVAL
Complex: FAD_B_5(1EP2) / Model_3(1EP2/B) = [9.2] Download656.9825.55MKKAYLTVCSNQQIADRVFQMVLKGELVQGFTTPGQFLHLKVSEAVTPLLRRPISIADVNFEKNEVTIIYRVDGEGTRLLSLKQQGELVDVLGPLGNGFPVNEVQPGKTALLVGGGVGVPPLQELSKRLIEKGVNVIHVLGFQSAKDVFYEEECRQYGDTYVATADGSYGETGFVTDVIKRKKLEFDILLSCGPTPMLKALKQEYAHKEVYLSMEERMGCGIGACFACVCHTNESETSYVKVCLDGPVFKAQEVAL
Complex: FAD_B_4(1EP3) / Model_1(1EP3/B) = [9.5] Download581.2621.11MKKAYLTVCSNQQIADRVFQMVLKGELVQGFTTPGQFLHLKVSEAVTPLLRRPISIADVNFEKNEVTIIYRVDGEGTRLLSLKQQGELVDVLGPLGNGFPVNEVQPGKTALLVGGGVGVPPLQELSKRLIEKGVNVIHVLGFQSAKDVFYEEECRQYGDTYVATADGSYGETGFVTDVIKRKKLEFDILLSCGPTPMLKALKQEYAHKEVYLSMEERMGCGIGACFACVCHTNESETSYVKVCLDGPVFKAQEVAL
Complex: FAD_B_4(1EP3) / Model_48(1EP3/B) = [9.6] Download587.7621.41MKKAYLTVCSNQQIADRVFQMVLKGELVQGFTTPGQFLHLKVSEAVTPLLRRPISIADVNFEKNEVTIIYRVDGEGTRLLSLKQQGELVDVLGPLGNGFPVNEVQPGKTALLVGGGVGVPPLQELSKRLIEKGVNVIHVLGFQSAKDVFYEEECRQYGDTYVATADGSYGETGFVTDVIKRKKLEFDILLSCGPTPMLKALKQEYAHKEVYLSMEERMGCGIGACFACVCHTNESETSYVKVCLDGPVFKAQEVAL
Complex: FAD_B_4(1EP3) / Model_29(1EP3/B) = [9.9] Download509.7415.78MKKAYLTVCSNQQIADRVFQMVLKGELVQGFTTPGQFLHLKVSEAVTPLLRRPISIADVNFEKNEVTIIYRVDGEGTRLLSLKQQGELVDVLGPLGNGFPVNEVQPGKTALLVGGGVGVPPLQELSKRLIEKGVNVIHVLGFQSAKDVFYEEECRQYGDTYVATADGSYGETGFVTDVIKRKKLEFDILLSCGPTPMLKALKQEYAHKEVYLSMEERMGCGIGACFACVCHTNESETSYVKVCLDGPVFKAQEVAL
Consensus
[pKd Mean = 9.46]
-590
(s=48)
22
(s=3)
MKKAYLTVCSNQQIADRVFQMVLKGELVQGFTTPGQFLHLKVSEAVTPLLRRPISIADVNFEKNEVTIIYRVDGEGTRLLSLKQQGELVDVLGPLGNGFPVNEVQPGKTALLVGGGVGVPPLQELSKRLIEKGVNVIHVLGFQSAKDVFYEEECRQYGDTYVATADGSYGETGFVTDVIKRKKLEFDILLSCGPTPMLKALKQEYAHKEVYLSMEERMGCGIGACFACVCHTNESETSYVKVCLDGPVFKAQEVAL