Study : D5V1R1_ARCNC (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] : 4 (5 maxi)

Complexes [Theoretical pKd]FileVolume (A3)
(FPocket)
Hydrophobicity
Score(FPocket)
Contacts Ligand/Receptor [<4A] in Site C1_S1
Complex: ADN_A_5(2Q83) / Model_19(2Q83/A) = [3.6] Download1237.8220.05MGVKTKLFYEDIKPFFDIKSLQETKNGESHTVYILDNDYILKIYEEENLFNIDAEIELLNYTKKLCVPKVIKDDIFIKGKRGLVFSKAKGESVVEFVKSTHLEQIGQFLNSFHKMTKNKKHDNLSAFGKSQLKVMIEKTCNKAFKDEFDCLKIELKNDGIIHGDLFLDNATFCGDKLTCVFDFSDACEGDFIFDLAVVALSWCSNKEEINILLKAYDKEIKLDDFIIYLRYASLYYCVKRHLTNRDYDNIIFKNKFIDLI
Complex: BEZ_A_2(6EF6) / Model_22(6EF6/A) = [3.8] Download305.3120.41MGVKTKLFYEDIKPFFDIKSLQETKNGESHTVYILDNDYILKIYEEENLFNIDAEIELLNYTKKLCVPKVIKDDIFIKGKRGLVFSKAKGESVVEFVKSTHLEQIGQFLNSFHKMTKNKKHDNLSAFGKSQLKVMIEKTCNKAFKDEFDCLKIELKNDGIIHGDLFLDNATFCGDKLTCVFDFSDACEGDFIFDLAVVALSWCSNKEEINILLKAYDKEIKLDDFIIYLRYASLYYCVKRHLTNRDYDNIIFKNKFIDLI
Complex: ADP_A_7(1J7L) / Model_40(1J7L/A) = [5.4] Download970.626.70MGVKTKLFYEDIKPFFDIKSLQETKNGESHTVYILDNDYILKIYEEENLFNIDAEIELLNYTKKLCVPKVIKDDIFIKGKRGLVFSKAKGESVVEFVKSTHLEQIGQFLNSFHKMTKNKKHDNLSAFGKSQLKVMIEKTCNKAFKDEFDCLKIELKNDGIIHGDLFLDNATFCGDKLTCVFDFSDACEGDFIFDLAVVALSWCSNKEEINILLKAYDKEIKLDDFIIYLRYASLYYCVKRHLTNRDYDNIIFKNKFIDLI
Complex: ADP_A_7(1J7L) / Model_9(1J7L/A) = [5.4] Download1114.336.70MGVKTKLFYEDIKPFFDIKSLQETKNGESHTVYILDNDYILKIYEEENLFNIDAEIELLNYTKKLCVPKVIKDDIFIKGKRGLVFSKAKGESVVEFVKSTHLEQIGQFLNSFHKMTKNKKHDNLSAFGKSQLKVMIEKTCNKAFKDEFDCLKIELKNDGIIHGDLFLDNATFCGDKLTCVFDFSDACEGDFIFDLAVVALSWCSNKEEINILLKAYDKEIKLDDFIIYLRYASLYYCVKRHLTNRDYDNIIFKNKFIDLI
Consensus
[pKd Mean = 4.55]
-907
(s=360)
13
(s=6)
MGVKTKLFYEDIKPFFDIKSLQETKNGESHTVYILDNDYILKIYEEENLFNIDAEIELLNYTKKLCVPKVIKDDIFIKGKRGLVFSKAKGESVVEFVKSTHLEQIGQFLNSFHKMTKNKKHDNLSAFGKSQLKVMIEKTCNKAFKDEFDCLKIELKNDGIIHGDLFLDNATFCGDKLTCVFDFSDACEGDFIFDLAVVALSWCSNKEEINILLKAYDKEIKLDDFIIYLRYASLYYCVKRHLTNRDYDNIIFKNKFIDLI