Study : Lmo1709 (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: QMS_A_6(2BB7) / Model_43(2BB7/A) = [3.1] Download762.8413.00MITLKSRREIDEMKAAGKILADTHKELKKIIKPGITSWDLEVFTEEFLRKNGATPEQKGFEGYEYAICASINDEICHGFPRKQKLNQGDIITVDMVVNYHGALADSAWTYAVGEVPDDVKHLMDVTHKALYLGIEQAQVGARVGDIGHAIQTYVESENLAVVREFIGHGVGPTLHEKPDIPHYGTAGKGPRLKEGMVITVEPMVNMGAWKAKMDDNGWTARTVDGSLSAQYEHTFAITKDGPEILTYQGEND
Complex: CIT_B_5(3TB5) / Model_21(3TB5/B) = [3.2] Download645.4719.40MITLKSRREIDEMKAAGKILADTHKELKKIIKPGITSWDLEVFTEEFLRKNGATPEQKGFEGYEYAICASINDEICHGFPRKQKLNQGDIITVDMVVNYHGALADSAWTYAVGEVPDDVKHLMDVTHKALYLGIEQAQVGARVGDIGHAIQTYVESENLAVVREFIGHGVGPTLHEKPDIPHYGTAGKGPRLKEGMVITVEPMVNMGAWKAKMDDNGWTARTVDGSLSAQYEHTFAITKDGPEILTYQGEND
Complex: YE6_A_5(2P9A) / Model_37(2P9A/A) = [3.4] Download1116.7713.00MITLKSRREIDEMKAAGKILADTHKELKKIIKPGITSWDLEVFTEEFLRKNGATPEQKGFEGYEYAICASINDEICHGFPRKQKLNQGDIITVDMVVNYHGALADSAWTYAVGEVPDDVKHLMDVTHKALYLGIEQAQVGARVGDIGHAIQTYVESENLAVVREFIGHGVGPTLHEKPDIPHYGTAGKGPRLKEGMVITVEPMVNMGAWKAKMDDNGWTARTVDGSLSAQYEHTFAITKDGPEILTYQGEND
Complex: CIT_A_4(3TB5) / Model_101(3TB5/A) = [3.5] Download519.6019.40MITLKSRREIDEMKAAGKILADTHKELKKIIKPGITSWDLEVFTEEFLRKNGATPEQKGFEGYEYAICASINDEICHGFPRKQKLNQGDIITVDMVVNYHGALADSAWTYAVGEVPDDVKHLMDVTHKALYLGIEQAQVGARVGDIGHAIQTYVESENLAVVREFIGHGVGPTLHEKPDIPHYGTAGKGPRLKEGMVITVEPMVNMGAWKAKMDDNGWTARTVDGSLSAQYEHTFAITKDGPEILTYQGEND
Complex: CIT_A_4(3TB5) / Model_1(3TB5/A) = [3.5] Download441.0319.40MITLKSRREIDEMKAAGKILADTHKELKKIIKPGITSWDLEVFTEEFLRKNGATPEQKGFEGYEYAICASINDEICHGFPRKQKLNQGDIITVDMVVNYHGALADSAWTYAVGEVPDDVKHLMDVTHKALYLGIEQAQVGARVGDIGHAIQTYVESENLAVVREFIGHGVGPTLHEKPDIPHYGTAGKGPRLKEGMVITVEPMVNMGAWKAKMDDNGWTARTVDGSLSAQYEHTFAITKDGPEILTYQGEND
Consensus
[pKd Mean = 3.34]
-697
(s=236)
16
(s=3)
MITLKSRREIDEMKAAGKILADTHKELKKIIKPGITSWDLEVFTEEFLRKNGATPEQKGFEGYEYAICASINDEICHGFPRKQKLNQGDIITVDMVVNYHGALADSAWTYAVGEVPDDVKHLMDVTHKALYLGIEQAQVGARVGDIGHAIQTYVESENLAVVREFIGHGVGPTLHEKPDIPHYGTAGKGPRLKEGMVITVEPMVNMGAWKAKMDDNGWTARTVDGSLSAQYEHTFAITKDGPEILTYQGEND