Study : Lmo2739 (atomeDB@cbs.cnrs.fr)


Main Binding Site Prediction:


Binding Site Prediction

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Binding Site Number :C9_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 C9_S1
Complex: EDO_B_10(4UUB) / Model_38(4UUB/B) = [3.1] Download582.3524.79MNKLNEALKKAERIVFLTGAGVSVPSGIPDYRSKNGLYAGMSSPEYMLSHTCLVREPEKFYQFVTENMYYPNAVPNVIHKKMAEIETEKDVTIITQNIDGLHEKAGSKKVVNFHGSLYHCYCQNCGMTVTAKDYLKSDIHTDCGGVIRPDVVLYEEAISESAIDQSLTAIRKADLIVIVGTSFRVSPFCNLTDYRNKKARIFAVNKERISLPYPFEMMESDAVKVFEEI
Complex: NCA_A_4(1YC5) / Model_57(1YC5/A) = [3.1] Download521.5539.78MNKLNEALKKAERIVFLTGAGVSVPSGIPDYRSKNGLYAGMSSPEYMLSHTCLVREPEKFYQFVTENMYYPNAVPNVIHKKMAEIETEKDVTIITQNIDGLHEKAGSKKVVNFHGSLYHCYCQNCGMTVTAKDYLKSDIHTDCGGVIRPDVVLYEEAISESAIDQSLTAIRKADLIVIVGTSFRVSPFCNLTDYRNKKARIFAVNKERISLPYPFEMMESDAVKVFEEI
Complex: EDO_B_9(4UUA) / Model_40(4UUA/B) = [3.1] Download530.5924.79MNKLNEALKKAERIVFLTGAGVSVPSGIPDYRSKNGLYAGMSSPEYMLSHTCLVREPEKFYQFVTENMYYPNAVPNVIHKKMAEIETEKDVTIITQNIDGLHEKAGSKKVVNFHGSLYHCYCQNCGMTVTAKDYLKSDIHTDCGGVIRPDVVLYEEAISESAIDQSLTAIRKADLIVIVGTSFRVSPFCNLTDYRNKKARIFAVNKERISLPYPFEMMESDAVKVFEEI
Complex: EDO_B_8(4UTN) / Model_54(4UTN/B) = [3.1] Download534.5019.23MNKLNEALKKAERIVFLTGAGVSVPSGIPDYRSKNGLYAGMSSPEYMLSHTCLVREPEKFYQFVTENMYYPNAVPNVIHKKMAEIETEKDVTIITQNIDGLHEKAGSKKVVNFHGSLYHCYCQNCGMTVTAKDYLKSDIHTDCGGVIRPDVVLYEEAISESAIDQSLTAIRKADLIVIVGTSFRVSPFCNLTDYRNKKARIFAVNKERISLPYPFEMMESDAVKVFEEI
Complex: EDO_B_9(4UU8) / Model_42(4UU8/B) = [3.1] Download492.8612.58MNKLNEALKKAERIVFLTGAGVSVPSGIPDYRSKNGLYAGMSSPEYMLSHTCLVREPEKFYQFVTENMYYPNAVPNVIHKKMAEIETEKDVTIITQNIDGLHEKAGSKKVVNFHGSLYHCYCQNCGMTVTAKDYLKSDIHTDCGGVIRPDVVLYEEAISESAIDQSLTAIRKADLIVIVGTSFRVSPFCNLTDYRNKKARIFAVNKERISLPYPFEMMESDAVKVFEEI
Consensus
[pKd Mean = 3.10]
-532
(s=28)
24
(s=8)
MNKLNEALKKAERIVFLTGAGVSVPSGIPDYRSKNGLYAGMSSPEYMLSHTCLVREPEKFYQFVTENMYYPNAVPNVIHKKMAEIETEKDVTIITQNIDGLHEKAGSKKVVNFHGSLYHCYCQNCGMTVTAKDYLKSDIHTDCGGVIRPDVVLYEEAISESAIDQSLTAIRKADLIVIVGTSFRVSPFCNLTDYRNKKARIFAVNKERISLPYPFEMMESDAVKVFEEI