Study : Wbm0099 (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] : 5 (5 maxi)

Complexes [Theoretical pKd]FileVolume (A3)
(FPocket)
Hydrophobicity
Score(FPocket)
Contacts Ligand/Receptor [<4A] in Site C3_S1
Complex: A_D_16(4M30) / Model_21(4M30/B) = [3.1] Download--MGDTPFKATSMEDLNDTISKIINYRFKNDAILEEALTHPSLNKRNSKNQIENYERLEFLGDSILNMIVSAILFRLFPKEKEGALARRKTDLVCGNTIANVAKEIKLGNFIIMNNSERCNGGKRNLKNLENALEALIGAIYIDGGFANVKKFVTKHWEERAKGMLSLPQDPKTSLQEWTQKNKLPLPEYELMKQTGPAHSPEFTISICIENYGKVFACASSKKVAEQKAAELMLEKINNSEKTI
Complex: A_C_12(4M30) / Model_8(4M30/A) = [3.2] Download--MGDTPFKATSMEDLNDTISKIINYRFKNDAILEEALTHPSLNKRNSKNQIENYERLEFLGDSILNMIVSAILFRLFPKEKEGALARRKTDLVCGNTIANVAKEIKLGNFIIMNNSERCNGGKRNLKNLENALEALIGAIYIDGGFANVKKFVTKHWEERAKGMLSLPQDPKTSLQEWTQKNKLPLPEYELMKQTGPAHSPEFTISICIENYGKVFACASSKKVAEQKAAELMLEKINNSEKTI
Complex: NACID_C_3(3ADL) / Model_67(3ADL/A) = [3.6] Download--MGDTPFKATSMEDLNDTISKIINYRFKNDAILEEALTHPSLNKRNSKNQIENYERLEFLGDSILNMIVSAILFRLFPKEKEGALARRKTDLVCGNTIANVAKEIKLGNFIIMNNSERCNGGKRNLKNLENALEALIGAIYIDGGFANVKKFVTKHWEERAKGMLSLPQDPKTSLQEWTQKNKLPLPEYELMKQTGPAHSPEFTISICIENYGKVFACASSKKVAEQKAAELMLEKINNSEKTI
Complex: NACID_E_3(1YYK) / Model_26(1YYK/B) = [3.8] Download--MGDTPFKATSMEDLNDTISKIINYRFKNDAILEEALTHPSLNKRNSKNQIENYERLEFLGDSILNMIVSAILFRLFPKEKEGALARRKTDLVCGNTIANVAKEIKLGNFIIMNNSERCNGGKRNLKNLENALEALIGAIYIDGGFANVKKFVTKHWEERAKGMLSLPQDPKTSLQEWTQKNKLPLPEYELMKQTGPAHSPEFTISICIENYGKVFACASSKKVAEQKAAELMLEKINNSEKTI
Complex: NACID_D_3(2NUG) / Model_23(2NUG/B) = [3.9] Download--MGDTPFKATSMEDLNDTISKIINYRFKNDAILEEALTHPSLNKRNSKNQIENYERLEFLGDSILNMIVSAILFRLFPKEKEGALARRKTDLVCGNTIANVAKEIKLGNFIIMNNSERCNGGKRNLKNLENALEALIGAIYIDGGFANVKKFVTKHWEERAKGMLSLPQDPKTSLQEWTQKNKLPLPEYELMKQTGPAHSPEFTISICIENYGKVFACASSKKVAEQKAAELMLEKINNSEKTI
Consensus
[pKd Mean = 3.52]
-0
(s=0)
0
(s=0)
MGDTPFKATSMEDLNDTISKIINYRFKNDAILEEALTHPSLNKRNSKNQIENYERLEFLGDSILNMIVSAILFRLFPKEKEGALARRKTDLVCGNTIANVAKEIKLGNFIIMNNSERCNGGKRNLKNLENALEALIGAIYIDGGFANVKKFVTKHWEERAKGMLSLPQDPKTSLQEWTQKNKLPLPEYELMKQTGPAHSPEFTISICIENYGKVFACASSKKVAEQKAAELMLEKINNSEKTI