Study : PA1197 (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: EDO_B_10(4UUB) / Model_36(4UUB/B) = [3.1] Download477.5925.47MDSHSPIATVAQALRRAERILVITGAGLSADSGMPTYRGLGGLYNGRTEEGLPIEAALSGPMLRRDPALCWKYLAELGKACLAARPNAGHEAIAELQKHKPECWVLTQNIDGFHRQAGSPAERLIEIHGELAPLYCQSCGAESGGLEEHLHGQLPPRCAACGGVLRPPVVLFEEMLPEEAIDTLYRELRKGFDAVLVVGTTASFPYIVEPVLRTRQAGGFTAEVNPGVTDLSERVDVKMTGRALDIMPQVVSHIYR
Complex: EDO_B_9(4UUA) / Model_38(4UUA/B) = [3.1] Download410.2928.80MDSHSPIATVAQALRRAERILVITGAGLSADSGMPTYRGLGGLYNGRTEEGLPIEAALSGPMLRRDPALCWKYLAELGKACLAARPNAGHEAIAELQKHKPECWVLTQNIDGFHRQAGSPAERLIEIHGELAPLYCQSCGAESGGLEEHLHGQLPPRCAACGGVLRPPVVLFEEMLPEEAIDTLYRELRKGFDAVLVVGTTASFPYIVEPVLRTRQAGGFTAEVNPGVTDLSERVDVKMTGRALDIMPQVVSHIYR
Complex: EDO_B_9(4UU8) / Model_40(4UU8/B) = [3.1] Download463.1923.79MDSHSPIATVAQALRRAERILVITGAGLSADSGMPTYRGLGGLYNGRTEEGLPIEAALSGPMLRRDPALCWKYLAELGKACLAARPNAGHEAIAELQKHKPECWVLTQNIDGFHRQAGSPAERLIEIHGELAPLYCQSCGAESGGLEEHLHGQLPPRCAACGGVLRPPVVLFEEMLPEEAIDTLYRELRKGFDAVLVVGTTASFPYIVEPVLRTRQAGGFTAEVNPGVTDLSERVDVKMTGRALDIMPQVVSHIYR
Complex: EDO_B_8(4UTN) / Model_50(4UTN/B) = [3.1] Download425.3918.00MDSHSPIATVAQALRRAERILVITGAGLSADSGMPTYRGLGGLYNGRTEEGLPIEAALSGPMLRRDPALCWKYLAELGKACLAARPNAGHEAIAELQKHKPECWVLTQNIDGFHRQAGSPAERLIEIHGELAPLYCQSCGAESGGLEEHLHGQLPPRCAACGGVLRPPVVLFEEMLPEEAIDTLYRELRKGFDAVLVVGTTASFPYIVEPVLRTRQAGGFTAEVNPGVTDLSERVDVKMTGRALDIMPQVVSHIYR
Complex: 0L1_D_10(4UTZ) / Model_45(4UTZ/A) = [3.2] Download484.3652.88MDSHSPIATVAQALRRAERILVITGAGLSADSGMPTYRGLGGLYNGRTEEGLPIEAALSGPMLRRDPALCWKYLAELGKACLAARPNAGHEAIAELQKHKPECWVLTQNIDGFHRQAGSPAERLIEIHGELAPLYCQSCGAESGGLEEHLHGQLPPRCAACGGVLRPPVVLFEEMLPEEAIDTLYRELRKGFDAVLVVGTTASFPYIVEPVLRTRQAGGFTAEVNPGVTDLSERVDVKMTGRALDIMPQVVSHIYR
Consensus
[pKd Mean = 3.12]
-452
(s=29)
29
(s=12)
MDSHSPIATVAQALRRAERILVITGAGLSADSGMPTYRGLGGLYNGRTEEGLPIEAALSGPMLRRDPALCWKYLAELGKACLAARPNAGHEAIAELQKHKPECWVLTQNIDGFHRQAGSPAERLIEIHGELAPLYCQSCGAESGGLEEHLHGQLPPRCAACGGVLRPPVVLFEEMLPEEAIDTLYRELRKGFDAVLVVGTTASFPYIVEPVLRTRQAGGFTAEVNPGVTDLSERVDVKMTGRALDIMPQVVSHIYR