Study : Lmo1680 (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: ECX_A_2(3JW9) / Model_12(3JW9/A) = [3.4] Download673.4115.56MAKLKQETIAAQIGNRKCERTGAVNMPVYFSTAYQHADLGVSTGYDYTRTGNPTRDALQEALAELENGTHAFATSSGMSAIQLVFQLFKTGEHIISSQDLYGGTFRYFEQFGAQYQIGFSYWDGAEIADLEKLIRPETKAIFIETPTNPLMQETDIATVAKWAHAHDLLVIVDNTFYTPVLQQPLSLGADIVIHSATKYLGGHNDVLAGAVIVKEEKLGKFFFDQLNATGTVLSPFDSWLLIRGLKTLVLRVRQHQANAQKIAAFLEEHKLVEEVRYPGRGGMISFFIRDAALVSPLLKELELFTFAESLGGVESLITYPTTQTHADIPVELRNSYGLTDKLLRISVGIEASEDLIADLSKALDAVLEEVSARG
Complex: PLP_C_13(1IBJ) / Model_31(1IBJ/C) = [3.5] Download571.1512.95MAKLKQETIAAQIGNRKCERTGAVNMPVYFSTAYQHADLGVSTGYDYTRTGNPTRDALQEALAELENGTHAFATSSGMSAIQLVFQLFKTGEHIISSQDLYGGTFRYFEQFGAQYQIGFSYWDGAEIADLEKLIRPETKAIFIETPTNPLMQETDIATVAKWAHAHDLLVIVDNTFYTPVLQQPLSLGADIVIHSATKYLGGHNDVLAGAVIVKEEKLGKFFFDQLNATGTVLSPFDSWLLIRGLKTLVLRVRQHQANAQKIAAFLEEHKLVEEVRYPGRGGMISFFIRDAALVSPLLKELELFTFAESLGGVESLITYPTTQTHADIPVELRNSYGLTDKLLRISVGIEASEDLIADLSKALDAVLEEVSARG
Complex: PLP_A_3(1E5F) / Model_18(1E5F/A) = [3.6] Download470.6415.73MAKLKQETIAAQIGNRKCERTGAVNMPVYFSTAYQHADLGVSTGYDYTRTGNPTRDALQEALAELENGTHAFATSSGMSAIQLVFQLFKTGEHIISSQDLYGGTFRYFEQFGAQYQIGFSYWDGAEIADLEKLIRPETKAIFIETPTNPLMQETDIATVAKWAHAHDLLVIVDNTFYTPVLQQPLSLGADIVIHSATKYLGGHNDVLAGAVIVKEEKLGKFFFDQLNATGTVLSPFDSWLLIRGLKTLVLRVRQHQANAQKIAAFLEEHKLVEEVRYPGRGGMISFFIRDAALVSPLLKELELFTFAESLGGVESLITYPTTQTHADIPVELRNSYGLTDKLLRISVGIEASEDLIADLSKALDAVLEEVSARG
Complex: PLP_B_8(1E5F) / Model_41(1E5F/B) = [3.7] Download531.8315.73MAKLKQETIAAQIGNRKCERTGAVNMPVYFSTAYQHADLGVSTGYDYTRTGNPTRDALQEALAELENGTHAFATSSGMSAIQLVFQLFKTGEHIISSQDLYGGTFRYFEQFGAQYQIGFSYWDGAEIADLEKLIRPETKAIFIETPTNPLMQETDIATVAKWAHAHDLLVIVDNTFYTPVLQQPLSLGADIVIHSATKYLGGHNDVLAGAVIVKEEKLGKFFFDQLNATGTVLSPFDSWLLIRGLKTLVLRVRQHQANAQKIAAFLEEHKLVEEVRYPGRGGMISFFIRDAALVSPLLKELELFTFAESLGGVESLITYPTTQTHADIPVELRNSYGLTDKLLRISVGIEASEDLIADLSKALDAVLEEVSARG
Complex: PLP_A_11(1IBJ) / Model_116(1IBJ/A) = [3.9] Download601.539.55MAKLKQETIAAQIGNRKCERTGAVNMPVYFSTAYQHADLGVSTGYDYTRTGNPTRDALQEALAELENGTHAFATSSGMSAIQLVFQLFKTGEHIISSQDLYGGTFRYFEQFGAQYQIGFSYWDGAEIADLEKLIRPETKAIFIETPTNPLMQETDIATVAKWAHAHDLLVIVDNTFYTPVLQQPLSLGADIVIHSATKYLGGHNDVLAGAVIVKEEKLGKFFFDQLNATGTVLSPFDSWLLIRGLKTLVLRVRQHQANAQKIAAFLEEHKLVEEVRYPGRGGMISFFIRDAALVSPLLKELELFTFAESLGGVESLITYPTTQTHADIPVELRNSYGLTDKLLRISVGIEASEDLIADLSKALDAVLEEVSARG
Consensus
[pKd Mean = 3.62]
-569
(s=67)
13
(s=2)
MAKLKQETIAAQIGNRKCERTGAVNMPVYFSTAYQHADLGVSTGYDYTRTGNPTRDALQEALAELENGTHAFATSSGMSAIQLVFQLFKTGEHIISSQDLYGGTFRYFEQFGAQYQIGFSYWDGAEIADLEKLIRPETKAIFIETPTNPLMQETDIATVAKWAHAHDLLVIVDNTFYTPVLQQPLSLGADIVIHSATKYLGGHNDVLAGAVIVKEEKLGKFFFDQLNATGTVLSPFDSWLLIRGLKTLVLRVRQHQANAQKIAAFLEEHKLVEEVRYPGRGGMISFFIRDAALVSPLLKELELFTFAESLGGVESLITYPTTQTHADIPVELRNSYGLTDKLLRISVGIEASEDLIADLSKALDAVLEEVSARG