Study : Lmo1986 (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: HIO_A_8(4XDY) / Model_8(4XDY/A) = [3.5] Download1045.6410.67MTKVYYEDAVKNNALEGKTVAVIGYGSQGHAHSQNLRDNGNNVIIGIREGKSAESARNDGFDVYSVSEAADKADVIMILLPDETQGETYENEIKPNLKAGNSLVFAHGFNIHFDVINPPSDVDVFLVAPKGPGHLVRRTFVEGGAVPSLFAIYQDATGNARDTALSYAKGIGATRAGVIETTFKEETETDLFGEQAVLCGGATHLIQAGFETLVEAGYQPELAYFEVLHEMKLIVDLMYEGGMEKMRHSISNTAEYGDYVSGPRVVTADTKKAMKEVLTDIQNGNFAKSFINDNKNGFKEFHRMRKEQQGHQIEKVGAELREMMPFVKPQH
Complex: 40E_B_14(4XDZ) / Model_26(4XDZ/B) = [3.5] Download794.1210.67MTKVYYEDAVKNNALEGKTVAVIGYGSQGHAHSQNLRDNGNNVIIGIREGKSAESARNDGFDVYSVSEAADKADVIMILLPDETQGETYENEIKPNLKAGNSLVFAHGFNIHFDVINPPSDVDVFLVAPKGPGHLVRRTFVEGGAVPSLFAIYQDATGNARDTALSYAKGIGATRAGVIETTFKEETETDLFGEQAVLCGGATHLIQAGFETLVEAGYQPELAYFEVLHEMKLIVDLMYEGGMEKMRHSISNTAEYGDYVSGPRVVTADTKKAMKEVLTDIQNGNFAKSFINDNKNGFKEFHRMRKEQQGHQIEKVGAELREMMPFVKPQH
Complex: HIO_A_4(4KQX) / Model_25(4KQX/B) = [3.5] Download931.1910.67MTKVYYEDAVKNNALEGKTVAVIGYGSQGHAHSQNLRDNGNNVIIGIREGKSAESARNDGFDVYSVSEAADKADVIMILLPDETQGETYENEIKPNLKAGNSLVFAHGFNIHFDVINPPSDVDVFLVAPKGPGHLVRRTFVEGGAVPSLFAIYQDATGNARDTALSYAKGIGATRAGVIETTFKEETETDLFGEQAVLCGGATHLIQAGFETLVEAGYQPELAYFEVLHEMKLIVDLMYEGGMEKMRHSISNTAEYGDYVSGPRVVTADTKKAMKEVLTDIQNGNFAKSFINDNKNGFKEFHRMRKEQQGHQIEKVGAELREMMPFVKPQH
Complex: NAD_B_10(4KQX) / Model_25(4KQX/B) = [7.2] Download1707.6912.24MTKVYYEDAVKNNALEGKTVAVIGYGSQGHAHSQNLRDNGNNVIIGIREGKSAESARNDGFDVYSVSEAADKADVIMILLPDETQGETYENEIKPNLKAGNSLVFAHGFNIHFDVINPPSDVDVFLVAPKGPGHLVRRTFVEGGAVPSLFAIYQDATGNARDTALSYAKGIGATRAGVIETTFKEETETDLFGEQAVLCGGATHLIQAGFETLVEAGYQPELAYFEVLHEMKLIVDLMYEGGMEKMRHSISNTAEYGDYVSGPRVVTADTKKAMKEVLTDIQNGNFAKSFINDNKNGFKEFHRMRKEQQGHQIEKVGAELREMMPFVKPQH
Complex: NAP_A_3(4KQW) / Model_4(4KQW/A) = [7.7] Download2033.9815.21MTKVYYEDAVKNNALEGKTVAVIGYGSQGHAHSQNLRDNGNNVIIGIREGKSAESARNDGFDVYSVSEAADKADVIMILLPDETQGETYENEIKPNLKAGNSLVFAHGFNIHFDVINPPSDVDVFLVAPKGPGHLVRRTFVEGGAVPSLFAIYQDATGNARDTALSYAKGIGATRAGVIETTFKEETETDLFGEQAVLCGGATHLIQAGFETLVEAGYQPELAYFEVLHEMKLIVDLMYEGGMEKMRHSISNTAEYGDYVSGPRVVTADTKKAMKEVLTDIQNGNFAKSFINDNKNGFKEFHRMRKEQQGHQIEKVGAELREMMPFVKPQH
Consensus
[pKd Mean = 5.08]
-1302
(s=481)
11
(s=1)
MTKVYYEDAVKNNALEGKTVAVIGYGSQGHAHSQNLRDNGNNVIIGIREGKSAESARNDGFDVYSVSEAADKADVIMILLPDETQGETYENEIKPNLKAGNSLVFAHGFNIHFDVINPPSDVDVFLVAPKGPGHLVRRTFVEGGAVPSLFAIYQDATGNARDTALSYAKGIGATRAGVIETTFKEETETDLFGEQAVLCGGATHLIQAGFETLVEAGYQPELAYFEVLHEMKLIVDLMYEGGMEKMRHSISNTAEYGDYVSGPRVVTADTKKAMKEVLTDIQNGNFAKSFINDNKNGFKEFHRMRKEQQGHQIEKVGAELREMMPFVKPQH