Study : bsu34630 (atomeDB@cbs.cnrs.fr)


Main Binding Site Prediction:


Binding Site Prediction

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Binding Site Number :C2_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 C2_S1
Complex: NACID_M_1(1QP4) / Model_13(1QP4/A) = [4.1] Download--MATLSDVAKKANVSKMTVSRVINHPETVTDELKKLVHSAMKELNYIPNYAARALVQNRTQVVKLLILEEMDTTEPYYMNLLTGISRELDRNHYALQLVTRNSLNIGQCDGIIATGLRKNDFEGVIKAFEKPLVVFGQNEMGYDFIDVNNEKGTFMATRHVMGLGEREVVFFGIDLDEPFERAREQGYIRAMNKSFKKSNMFRIDNSSKKSECLARELLKSMDNQAAFVCASDRIALGVIRAAQSLGKRIPEDVAVTGNDGVFLDRISSPRLTTVRQPVVEMGEACAKMLLKKMNEDGAAQGSLFFEPELIVRESTL
Complex: NACID_M_1(1QPZ) / Model_48(1QPZ/A) = [4.2] Download--MATLSDVAKKANVSKMTVSRVINHPETVTDELKKLVHSAMKELNYIPNYAARALVQNRTQVVKLLILEEMDTTEPYYMNLLTGISRELDRNHYALQLVTRNSLNIGQCDGIIATGLRKNDFEGVIKAFEKPLVVFGQNEMGYDFIDVNNEKGTFMATRHVMGLGEREVVFFGIDLDEPFERAREQGYIRAMNKSFKKSNMFRIDNSSKKSECLARELLKSMDNQAAFVCASDRIALGVIRAAQSLGKRIPEDVAVTGNDGVFLDRISSPRLTTVRQPVVEMGEACAKMLLKKMNEDGAAQGSLFFEPELIVRESTL
Complex: NACID_B_1(1JH9) / Model_8(1JH9/A) = [4.9] Download--MATLSDVAKKANVSKMTVSRVINHPETVTDELKKLVHSAMKELNYIPNYAARALVQNRTQVVKLLILEEMDTTEPYYMNLLTGISRELDRNHYALQLVTRNSLNIGQCDGIIATGLRKNDFEGVIKAFEKPLVVFGQNEMGYDFIDVNNEKGTFMATRHVMGLGEREVVFFGIDLDEPFERAREQGYIRAMNKSFKKSNMFRIDNSSKKSECLARELLKSMDNQAAFVCASDRIALGVIRAAQSLGKRIPEDVAVTGNDGVFLDRISSPRLTTVRQPVVEMGEACAKMLLKKMNEDGAAQGSLFFEPELIVRESTL
Complex: NACID_M_1(1QPZ) / Model_61(1QPZ/A) = [5.2] Download--MATLSDVAKKANVSKMTVSRVINHPETVTDELKKLVHSAMKELNYIPNYAARALVQNRTQVVKLLILEEMDTTEPYYMNLLTGISRELDRNHYALQLVTRNSLNIGQCDGIIATGLRKNDFEGVIKAFEKPLVVFGQNEMGYDFIDVNNEKGTFMATRHVMGLGEREVVFFGIDLDEPFERAREQGYIRAMNKSFKKSNMFRIDNSSKKSECLARELLKSMDNQAAFVCASDRIALGVIRAAQSLGKRIPEDVAVTGNDGVFLDRISSPRLTTVRQPVVEMGEACAKMLLKKMNEDGAAQGSLFFEPELIVRESTL
Complex: NACID_M_1(1QPZ) / Model_14(1QPZ/A) = [5.2] Download--MATLSDVAKKANVSKMTVSRVINHPETVTDELKKLVHSAMKELNYIPNYAARALVQNRTQVVKLLILEEMDTTEPYYMNLLTGISRELDRNHYALQLVTRNSLNIGQCDGIIATGLRKNDFEGVIKAFEKPLVVFGQNEMGYDFIDVNNEKGTFMATRHVMGLGEREVVFFGIDLDEPFERAREQGYIRAMNKSFKKSNMFRIDNSSKKSECLARELLKSMDNQAAFVCASDRIALGVIRAAQSLGKRIPEDVAVTGNDGVFLDRISSPRLTTVRQPVVEMGEACAKMLLKKMNEDGAAQGSLFFEPELIVRESTL
Consensus
[pKd Mean = 4.72]		-0
(s=0)		0
(s=0)		MATLSDVAKKANVSKMTVSRVINHPETVTDELKKLVHSAMKELNYIPNYAARALVQNRTQVVKLLILEEMDTTEPYYMNLLTGISRELDRNHYALQLVTRNSLNIGQCDGIIATGLRKNDFEGVIKAFEKPLVVFGQNEMGYDFIDVNNEKGTFMATRHVMGLGEREVVFFGIDLDEPFERAREQGYIRAMNKSFKKSNMFRIDNSSKKSECLARELLKSMDNQAAFVCASDRIALGVIRAAQSLGKRIPEDVAVTGNDGVFLDRISSPRLTTVRQPVVEMGEACAKMLLKKMNEDGAAQGSLFFEPELIVRESTL