Study : Lmo0979 (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: ADP_D_7(4HLU) / Model_59(4HLU/D) = [3.8] Download813.0126.54MKEVMIKATGLEKSFKKTEVLKGVDFEVKHGEIFALLGSNGAGKTTTIQILATLLKADNGNAHISGFDVKTEPEKVRKHISLTGQFAAVDGLLTGRENILLIAKLRGEKNPAQTADDLLARFGLEKAADRRADTYSGGMTRRLDIAMSLVGSPDVIFLDEPTTGLDPEGRMEVWKTIKTLSDGGTTILLTTQYLDEAEQLADRIAILHGGTIIANGTLDELKKLFPPAEVEYIEKQPSLEEIFLAIINGKEEVK
Complex: ADP_C_11(4HLU) / Model_60(4HLU/C) = [4.4] Download837.3925.57MKEVMIKATGLEKSFKKTEVLKGVDFEVKHGEIFALLGSNGAGKTTTIQILATLLKADNGNAHISGFDVKTEPEKVRKHISLTGQFAAVDGLLTGRENILLIAKLRGEKNPAQTADDLLARFGLEKAADRRADTYSGGMTRRLDIAMSLVGSPDVIFLDEPTTGLDPEGRMEVWKTIKTLSDGGTTILLTTQYLDEAEQLADRIAILHGGTIIANGTLDELKKLFPPAEVEYIEKQPSLEEIFLAIINGKEEVK
Complex: ADP_A_3(4YER) / Model_1(4YER/A) = [5.5] Download703.8726.73MKEVMIKATGLEKSFKKTEVLKGVDFEVKHGEIFALLGSNGAGKTTTIQILATLLKADNGNAHISGFDVKTEPEKVRKHISLTGQFAAVDGLLTGRENILLIAKLRGEKNPAQTADDLLARFGLEKAADRRADTYSGGMTRRLDIAMSLVGSPDVIFLDEPTTGLDPEGRMEVWKTIKTLSDGGTTILLTTQYLDEAEQLADRIAILHGGTIIANGTLDELKKLFPPAEVEYIEKQPSLEEIFLAIINGKEEVK
Complex: ADP_B_6(2OLJ) / Model_32(2OLJ/B) = [5.7] Download1050.0410.88MKEVMIKATGLEKSFKKTEVLKGVDFEVKHGEIFALLGSNGAGKTTTIQILATLLKADNGNAHISGFDVKTEPEKVRKHISLTGQFAAVDGLLTGRENILLIAKLRGEKNPAQTADDLLARFGLEKAADRRADTYSGGMTRRLDIAMSLVGSPDVIFLDEPTTGLDPEGRMEVWKTIKTLSDGGTTILLTTQYLDEAEQLADRIAILHGGTIIANGTLDELKKLFPPAEVEYIEKQPSLEEIFLAIINGKEEVK
Complex: ADP_A_5(2OLJ) / Model_9(2OLJ/A) = [5.9] Download1166.034.93MKEVMIKATGLEKSFKKTEVLKGVDFEVKHGEIFALLGSNGAGKTTTIQILATLLKADNGNAHISGFDVKTEPEKVRKHISLTGQFAAVDGLLTGRENILLIAKLRGEKNPAQTADDLLARFGLEKAADRRADTYSGGMTRRLDIAMSLVGSPDVIFLDEPTTGLDPEGRMEVWKTIKTLSDGGTTILLTTQYLDEAEQLADRIAILHGGTIIANGTLDELKKLFPPAEVEYIEKQPSLEEIFLAIINGKEEVK
Consensus
[pKd Mean = 5.06]
-914
(s=168)
18
(s=9)
MKEVMIKATGLEKSFKKTEVLKGVDFEVKHGEIFALLGSNGAGKTTTIQILATLLKADNGNAHISGFDVKTEPEKVRKHISLTGQFAAVDGLLTGRENILLIAKLRGEKNPAQTADDLLARFGLEKAADRRADTYSGGMTRRLDIAMSLVGSPDVIFLDEPTTGLDPEGRMEVWKTIKTLSDGGTTILLTTQYLDEAEQLADRIAILHGGTIIANGTLDELKKLFPPAEVEYIEKQPSLEEIFLAIINGKEEVK