Study : PA0949 (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: 144_A_5(3B6M) / Model_11(3B6M/A) = [3.1] Download269.235.56MSSPYILVLYYSRHGATAEMARQIARGVEQGGFEARVRTVPAVSTECEAVAPDIPAEGALYATLEDLKNCAGLALGSPTRFGNMASPLKYFLDGTSSLWLTGSLVGKPAAVFTSTASLHGGQETTQLSMLLPLLHHGMLVLGIPYSEPALLETRGGGTPYGASHFAGADGKRSLDEHELTLCRALGKRLAETAGKLGS
Complex: 144_B_6(3B6M) / Model_34(3B6M/B) = [3.2] Download782.027.50MSSPYILVLYYSRHGATAEMARQIARGVEQGGFEARVRTVPAVSTECEAVAPDIPAEGALYATLEDLKNCAGLALGSPTRFGNMASPLKYFLDGTSSLWLTGSLVGKPAAVFTSTASLHGGQETTQLSMLLPLLHHGMLVLGIPYSEPALLETRGGGTPYGASHFAGADGKRSLDEHELTLCRALGKRLAETAGKLGS
Complex: FMN_A_3(2R96) / Model_12(2R96/A) = [7.0] Download1226.243.59MSSPYILVLYYSRHGATAEMARQIARGVEQGGFEARVRTVPAVSTECEAVAPDIPAEGALYATLEDLKNCAGLALGSPTRFGNMASPLKYFLDGTSSLWLTGSLVGKPAAVFTSTASLHGGQETTQLSMLLPLLHHGMLVLGIPYSEPALLETRGGGTPYGASHFAGADGKRSLDEHELTLCRALGKRLAETAGKLGS
Complex: FMN_D_8(4LAF) / Model_23(4LAF/D) = [7.7] Download1041.826.84MSSPYILVLYYSRHGATAEMARQIARGVEQGGFEARVRTVPAVSTECEAVAPDIPAEGALYATLEDLKNCAGLALGSPTRFGNMASPLKYFLDGTSSLWLTGSLVGKPAAVFTSTASLHGGQETTQLSMLLPLLHHGMLVLGIPYSEPALLETRGGGTPYGASHFAGADGKRSLDEHELTLCRALGKRLAETAGKLGS
Complex: FMN_E_5(1ZWL) / Model_2(1ZWL/A) = [8.3] Download1208.946.00MSSPYILVLYYSRHGATAEMARQIARGVEQGGFEARVRTVPAVSTECEAVAPDIPAEGALYATLEDLKNCAGLALGSPTRFGNMASPLKYFLDGTSSLWLTGSLVGKPAAVFTSTASLHGGQETTQLSMLLPLLHHGMLVLGIPYSEPALLETRGGGTPYGASHFAGADGKRSLDEHELTLCRALGKRLAETAGKLGS
Consensus
[pKd Mean = 5.86]
-905
(s=355)
5
(s=1)
MSSPYILVLYYSRHGATAEMARQIARGVEQGGFEARVRTVPAVSTECEAVAPDIPAEGALYATLEDLKNCAGLALGSPTRFGNMASPLKYFLDGTSSLWLTGSLVGKPAAVFTSTASLHGGQETTQLSMLLPLLHHGMLVLGIPYSEPALLETRGGGTPYGASHFAGADGKRSLDEHELTLCRALGKRLAETAGKLGS