Study : PA0944 (atomeDB@cbs.cnrs.fr)


Main Binding Site Prediction:


Binding Site Prediction

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Binding Site Number :C5_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 C5_S1
Complex: GRF_B_2(1ZLY) / Model_39(1ZLY/A) = [3.2] Download780.7211.19MPKLCNVVVLISGSGSNLQALIDSLRDGATPARIRAVISNRADAYGLERARQAGIQTEVLDHKAYADRESFDEALAQRIDAHEPHLVILAGFMRILSADFVRHYQGRLLNIHPSLLPRHKGLHTHQRALEAGDREHGCSVHFVTEELDGGPLVVQAVIPVESQDTPERLARRVHEEEHRIYPLAMRWFAEGRLRLGEQGALLDGQALPATGHQIRTKEIRNA
Complex: NHE_A_2(3TQR) / Model_10(3TQR/A) = [3.2] Download201.4813.40MPKLCNVVVLISGSGSNLQALIDSLRDGATPARIRAVISNRADAYGLERARQAGIQTEVLDHKAYADRESFDEALAQRIDAHEPHLVILAGFMRILSADFVRHYQGRLLNIHPSLLPRHKGLHTHQRALEAGDREHGCSVHFVTEELDGGPLVVQAVIPVESQDTPERLARRVHEEEHRIYPLAMRWFAEGRLRLGEQGALLDGQALPATGHQIRTKEIRNA
Complex: GAR_J_10(1RBY) / Model_46(1RBY/B) = [3.7] Download708.4612.62MPKLCNVVVLISGSGSNLQALIDSLRDGATPARIRAVISNRADAYGLERARQAGIQTEVLDHKAYADRESFDEALAQRIDAHEPHLVILAGFMRILSADFVRHYQGRLLNIHPSLLPRHKGLHTHQRALEAGDREHGCSVHFVTEELDGGPLVVQAVIPVESQDTPERLARRVHEEEHRIYPLAMRWFAEGRLRLGEQGALLDGQALPATGHQIRTKEIRNA
Complex: KT5_D_4(1RC0) / Model_42(1RC0/B) = [5.5] Download1320.0013.45MPKLCNVVVLISGSGSNLQALIDSLRDGATPARIRAVISNRADAYGLERARQAGIQTEVLDHKAYADRESFDEALAQRIDAHEPHLVILAGFMRILSADFVRHYQGRLLNIHPSLLPRHKGLHTHQRALEAGDREHGCSVHFVTEELDGGPLVVQAVIPVESQDTPERLARRVHEEEHRIYPLAMRWFAEGRLRLGEQGALLDGQALPATGHQIRTKEIRNA
Complex: KEU_M_13(1RBQ) / Model_48(1RBQ/C) = [5.5] Download1404.5713.30MPKLCNVVVLISGSGSNLQALIDSLRDGATPARIRAVISNRADAYGLERARQAGIQTEVLDHKAYADRESFDEALAQRIDAHEPHLVILAGFMRILSADFVRHYQGRLLNIHPSLLPRHKGLHTHQRALEAGDREHGCSVHFVTEELDGGPLVVQAVIPVESQDTPERLARRVHEEEHRIYPLAMRWFAEGRLRLGEQGALLDGQALPATGHQIRTKEIRNA
Consensus
[pKd Mean = 4.22]
-883
(s=440)
12
(s=1)
MPKLCNVVVLISGSGSNLQALIDSLRDGATPARIRAVISNRADAYGLERARQAGIQTEVLDHKAYADRESFDEALAQRIDAHEPHLVILAGFMRILSADFVRHYQGRLLNIHPSLLPRHKGLHTHQRALEAGDREHGCSVHFVTEELDGGPLVVQAVIPVESQDTPERLARRVHEEEHRIYPLAMRWFAEGRLRLGEQGALLDGQALPATGHQIRTKEIRNA