Study : Lmo1849 (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: ADP_A_3(1F3O) / Model_9(1F3O/A) = [4.1] Download920.532.40MEIQGLTIAYKQKVAIDNVTLQIASGKLTGIVGPNGAGKSTLLKGMMGLIPREQGQVTLADKPLTYWRKKIAYVPQRSEVDLTFPITVFDMVLLGTYPALGLIKRPGKKEKQLALDALEQVEMTGFMKRQIGELSGGQLQRVFIARALAQHAEIFFLDEPFAGIDMTSEALIMRLLKKLRDNGKTIVVVHHDFHKVAAYFDDIILLNKKLVAHGPVEQTFTEEKIQFAYGDAPVAFAAGV
Complex: ADP_A_2(4U00) / Model_13(4U00/A) = [4.3] Download540.233.14MEIQGLTIAYKQKVAIDNVTLQIASGKLTGIVGPNGAGKSTLLKGMMGLIPREQGQVTLADKPLTYWRKKIAYVPQRSEVDLTFPITVFDMVLLGTYPALGLIKRPGKKEKQLALDALEQVEMTGFMKRQIGELSGGQLQRVFIARALAQHAEIFFLDEPFAGIDMTSEALIMRLLKKLRDNGKTIVVVHHDFHKVAAYFDDIILLNKKLVAHGPVEQTFTEEKIQFAYGDAPVAFAAGV
Complex: ADP_A_3(3TIF) / Model_8(3TIF/A) = [4.4] Download718.0610.43MEIQGLTIAYKQKVAIDNVTLQIASGKLTGIVGPNGAGKSTLLKGMMGLIPREQGQVTLADKPLTYWRKKIAYVPQRSEVDLTFPITVFDMVLLGTYPALGLIKRPGKKEKQLALDALEQVEMTGFMKRQIGELSGGQLQRVFIARALAQHAEIFFLDEPFAGIDMTSEALIMRLLKKLRDNGKTIVVVHHDFHKVAAYFDDIILLNKKLVAHGPVEQTFTEEKIQFAYGDAPVAFAAGV
Complex: ATP_B_6(1L2T) / Model_24(1L2T/B) = [4.6] Download725.576.25MEIQGLTIAYKQKVAIDNVTLQIASGKLTGIVGPNGAGKSTLLKGMMGLIPREQGQVTLADKPLTYWRKKIAYVPQRSEVDLTFPITVFDMVLLGTYPALGLIKRPGKKEKQLALDALEQVEMTGFMKRQIGELSGGQLQRVFIARALAQHAEIFFLDEPFAGIDMTSEALIMRLLKKLRDNGKTIVVVHHDFHKVAAYFDDIILLNKKLVAHGPVEQTFTEEKIQFAYGDAPVAFAAGV
Complex: ATP_A_5(1L2T) / Model_7(1L2T/A) = [4.6] Download538.306.25MEIQGLTIAYKQKVAIDNVTLQIASGKLTGIVGPNGAGKSTLLKGMMGLIPREQGQVTLADKPLTYWRKKIAYVPQRSEVDLTFPITVFDMVLLGTYPALGLIKRPGKKEKQLALDALEQVEMTGFMKRQIGELSGGQLQRVFIARALAQHAEIFFLDEPFAGIDMTSEALIMRLLKKLRDNGKTIVVVHHDFHKVAAYFDDIILLNKKLVAHGPVEQTFTEEKIQFAYGDAPVAFAAGV
Consensus
[pKd Mean = 4.40]
-688
(s=141)
5
(s=2)
MEIQGLTIAYKQKVAIDNVTLQIASGKLTGIVGPNGAGKSTLLKGMMGLIPREQGQVTLADKPLTYWRKKIAYVPQRSEVDLTFPITVFDMVLLGTYPALGLIKRPGKKEKQLALDALEQVEMTGFMKRQIGELSGGQLQRVFIARALAQHAEIFFLDEPFAGIDMTSEALIMRLLKKLRDNGKTIVVVHHDFHKVAAYFDDIILLNKKLVAHGPVEQTFTEEKIQFAYGDAPVAFAAGV