Study : Wbm0217 (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: AGS_B_10(3ZEU) / Model_31(3ZEU/B) = [5.4] Download1162.6810.19MKTILAVETSCDETAVAIVNSEKQVLAQEILSQTEHKKRGGVIPEIASRAHMEHLSSLIKNSIEKSNLNFCNLDATAATSGPGLIGGLIVGTMMAKAIAHVTQKPFIAVNHLEAHVLVIRLLYEVKFPFLVLLISGGHCQFLIAQNVGKYIKLGETLDDSLGEAFDKVARMLGLSYPGGPLIEKLAKKGNGTRFKLPRAMRKRPGCNFSFSGIKTAVKNLVQELEMSEQDVCDVCASFQECISEILLDRVKNAVIMAESLNIKINDFVVTGGVAANNFLRKKLKKHINLNILFPPINLCTDNAVMVGWTGIEILQKDYIDSLNFAPRPRWELGSY
Complex: ATP_A_6(4WQ4) / Model_4(4WQ4/A) = [5.5] Download982.859.32MKTILAVETSCDETAVAIVNSEKQVLAQEILSQTEHKKRGGVIPEIASRAHMEHLSSLIKNSIEKSNLNFCNLDATAATSGPGLIGGLIVGTMMAKAIAHVTQKPFIAVNHLEAHVLVIRLLYEVKFPFLVLLISGGHCQFLIAQNVGKYIKLGETLDDSLGEAFDKVARMLGLSYPGGPLIEKLAKKGNGTRFKLPRAMRKRPGCNFSFSGIKTAVKNLVQELEMSEQDVCDVCASFQECISEILLDRVKNAVIMAESLNIKINDFVVTGGVAANNFLRKKLKKHINLNILFPPINLCTDNAVMVGWTGIEILQKDYIDSLNFAPRPRWELGSY
Complex: ATP_B_9(4WQ4) / Model_23(4WQ4/B) = [6.1] Download1046.7610.31MKTILAVETSCDETAVAIVNSEKQVLAQEILSQTEHKKRGGVIPEIASRAHMEHLSSLIKNSIEKSNLNFCNLDATAATSGPGLIGGLIVGTMMAKAIAHVTQKPFIAVNHLEAHVLVIRLLYEVKFPFLVLLISGGHCQFLIAQNVGKYIKLGETLDDSLGEAFDKVARMLGLSYPGGPLIEKLAKKGNGTRFKLPRAMRKRPGCNFSFSGIKTAVKNLVQELEMSEQDVCDVCASFQECISEILLDRVKNAVIMAESLNIKINDFVVTGGVAANNFLRKKLKKHINLNILFPPINLCTDNAVMVGWTGIEILQKDYIDSLNFAPRPRWELGSY
Complex: AMP_B_4(3ZET) / Model_2(3ZET/B) = [6.1] Download781.971.16MKTILAVETSCDETAVAIVNSEKQVLAQEILSQTEHKKRGGVIPEIASRAHMEHLSSLIKNSIEKSNLNFCNLDATAATSGPGLIGGLIVGTMMAKAIAHVTQKPFIAVNHLEAHVLVIRLLYEVKFPFLVLLISGGHCQFLIAQNVGKYIKLGETLDDSLGEAFDKVARMLGLSYPGGPLIEKLAKKGNGTRFKLPRAMRKRPGCNFSFSGIKTAVKNLVQELEMSEQDVCDVCASFQECISEILLDRVKNAVIMAESLNIKINDFVVTGGVAANNFLRKKLKKHINLNILFPPINLCTDNAVMVGWTGIEILQKDYIDSLNFAPRPRWELGSY
Complex: ADP_B_12(4YDU) / Model_21(4YDU/B) = [6.2] Download941.924.29MKTILAVETSCDETAVAIVNSEKQVLAQEILSQTEHKKRGGVIPEIASRAHMEHLSSLIKNSIEKSNLNFCNLDATAATSGPGLIGGLIVGTMMAKAIAHVTQKPFIAVNHLEAHVLVIRLLYEVKFPFLVLLISGGHCQFLIAQNVGKYIKLGETLDDSLGEAFDKVARMLGLSYPGGPLIEKLAKKGNGTRFKLPRAMRKRPGCNFSFSGIKTAVKNLVQELEMSEQDVCDVCASFQECISEILLDRVKNAVIMAESLNIKINDFVVTGGVAANNFLRKKLKKHINLNILFPPINLCTDNAVMVGWTGIEILQKDYIDSLNFAPRPRWELGSY
Consensus
[pKd Mean = 5.86]
-983
(s=125)
7
(s=3)
MKTILAVETSCDETAVAIVNSEKQVLAQEILSQTEHKKRGGVIPEIASRAHMEHLSSLIKNSIEKSNLNFCNLDATAATSGPGLIGGLIVGTMMAKAIAHVTQKPFIAVNHLEAHVLVIRLLYEVKFPFLVLLISGGHCQFLIAQNVGKYIKLGETLDDSLGEAFDKVARMLGLSYPGGPLIEKLAKKGNGTRFKLPRAMRKRPGCNFSFSGIKTAVKNLVQELEMSEQDVCDVCASFQECISEILLDRVKNAVIMAESLNIKINDFVVTGGVAANNFLRKKLKKHINLNILFPPINLCTDNAVMVGWTGIEILQKDYIDSLNFAPRPRWELGSY