Study : PA4706 (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: ANP_D_11(4R9U) / Model_25(4R9U/D) = [3.8] Download599.847.08MLRVENLSIRRGGKTVLEGLELELRPGEMLGVLGPNGAGKSTLLGALCGELEPAEGLVLLDERGLDDWPGVARAQRLAVLPQSSSLGFAFPVEAVVGFGRLPHSSGRERDVQIVAEALAAADASHLAGRSYLALSGGERQRVHLARVLAQLWPGEPGQVLLLDEPTSALDPLHQHTTLQAVHDFARRGASVLVILHDLNLAARYCDRLLLLQNGRPHLLGTPEEVLRPEPLRAVFGLEVLVQRHPERGHPLIVAR
Complex: ADP_A_3(3TIF) / Model_37(3TIF/A) = [4.1] Download294.18-0.85MLRVENLSIRRGGKTVLEGLELELRPGEMLGVLGPNGAGKSTLLGALCGELEPAEGLVLLDERGLDDWPGVARAQRLAVLPQSSSLGFAFPVEAVVGFGRLPHSSGRERDVQIVAEALAAADASHLAGRSYLALSGGERQRVHLARVLAQLWPGEPGQVLLLDEPTSALDPLHQHTTLQAVHDFARRGASVLVILHDLNLAARYCDRLLLLQNGRPHLLGTPEEVLRPEPLRAVFGLEVLVQRHPERGHPLIVAR
Complex: ADP_B_8(3TIF) / Model_36(3TIF/B) = [4.2] Download332.00-0.85MLRVENLSIRRGGKTVLEGLELELRPGEMLGVLGPNGAGKSTLLGALCGELEPAEGLVLLDERGLDDWPGVARAQRLAVLPQSSSLGFAFPVEAVVGFGRLPHSSGRERDVQIVAEALAAADASHLAGRSYLALSGGERQRVHLARVLAQLWPGEPGQVLLLDEPTSALDPLHQHTTLQAVHDFARRGASVLVILHDLNLAARYCDRLLLLQNGRPHLLGTPEEVLRPEPLRAVFGLEVLVQRHPERGHPLIVAR
Complex: ANP_C_9(4R9U) / Model_6(4R9U/C) = [4.3] Download562.981.50MLRVENLSIRRGGKTVLEGLELELRPGEMLGVLGPNGAGKSTLLGALCGELEPAEGLVLLDERGLDDWPGVARAQRLAVLPQSSSLGFAFPVEAVVGFGRLPHSSGRERDVQIVAEALAAADASHLAGRSYLALSGGERQRVHLARVLAQLWPGEPGQVLLLDEPTSALDPLHQHTTLQAVHDFARRGASVLVILHDLNLAARYCDRLLLLQNGRPHLLGTPEEVLRPEPLRAVFGLEVLVQRHPERGHPLIVAR
Complex: ADP_A_3(1JJ7) / Model_52(1JJ7/A) = [4.3] Download568.6923.08MLRVENLSIRRGGKTVLEGLELELRPGEMLGVLGPNGAGKSTLLGALCGELEPAEGLVLLDERGLDDWPGVARAQRLAVLPQSSSLGFAFPVEAVVGFGRLPHSSGRERDVQIVAEALAAADASHLAGRSYLALSGGERQRVHLARVLAQLWPGEPGQVLLLDEPTSALDPLHQHTTLQAVHDFARRGASVLVILHDLNLAARYCDRLLLLQNGRPHLLGTPEEVLRPEPLRAVFGLEVLVQRHPERGHPLIVAR
Consensus
[pKd Mean = 4.14]
-471
(s=130)
5
(s=9)
MLRVENLSIRRGGKTVLEGLELELRPGEMLGVLGPNGAGKSTLLGALCGELEPAEGLVLLDERGLDDWPGVARAQRLAVLPQSSSLGFAFPVEAVVGFGRLPHSSGRERDVQIVAEALAAADASHLAGRSYLALSGGERQRVHLARVLAQLWPGEPGQVLLLDEPTSALDPLHQHTTLQAVHDFARRGASVLVILHDLNLAARYCDRLLLLQNGRPHLLGTPEEVLRPEPLRAVFGLEVLVQRHPERGHPLIVAR