Study : bsu15450 (atomeDB@cbs.cnrs.fr)


Main Binding Site Prediction:


Binding Site Prediction

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Binding Site Number :C3_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 C3_S1
Complex: 5BV_A_9(5DIR) / Model_1(5DIR/A) = [3.5] Download1219.7432.38MLYYMIALLIIAADQLTKWLVVKNMELGQSIPIIDQVFYITSHRNTGAAWGILAGQMWFFYLITTAVIIGIVYYIQRYTKGQRLLGVALGLMLGGAIGNFIDRAVRQEVVDFIHVIIVNYNYPIFNIADSSLCVGVMLLFIQMLLDSGKKKKEQ
Complex: SER_D_(5DIR) / Model_5(5DIR/D) = [3.6] Download2302.9230.69MLYYMIALLIIAADQLTKWLVVKNMELGQSIPIIDQVFYITSHRNTGAAWGILAGQMWFFYLITTAVIIGIVYYIQRYTKGQRLLGVALGLMLGGAIGNFIDRAVRQEVVDFIHVIIVNYNYPIFNIADSSLCVGVMLLFIQMLLDSGKKKKEQ
Complex: OLC_B_21(5DIR) / Model_7(5DIR/B) = [4.1] Download1429.6741.41MLYYMIALLIIAADQLTKWLVVKNMELGQSIPIIDQVFYITSHRNTGAAWGILAGQMWFFYLITTAVIIGIVYYIQRYTKGQRLLGVALGLMLGGAIGNFIDRAVRQEVVDFIHVIIVNYNYPIFNIADSSLCVGVMLLFIQMLLDSGKKKKEQ
Complex: OLC_A_10(5DIR) / Model_1(5DIR/A) = [4.2] Download2037.1635.36MLYYMIALLIIAADQLTKWLVVKNMELGQSIPIIDQVFYITSHRNTGAAWGILAGQMWFFYLITTAVIIGIVYYIQRYTKGQRLLGVALGLMLGGAIGNFIDRAVRQEVVDFIHVIIVNYNYPIFNIADSSLCVGVMLLFIQMLLDSGKKKKEQ
Consensus
[pKd Mean = 3.85]
-1747
(s=439)
34
(s=4)
MLYYMIALLIIAADQLTKWLVVKNMELGQSIPIIDQVFYITSHRNTGAAWGILAGQMWFFYLITTAVIIGIVYYIQRYTKGQRLLGVALGLMLGGAIGNFIDRAVRQEVVDFIHVIIVNYNYPIFNIADSSLCVGVMLLFIQMLLDSGKKKKEQ