Study : Rv0187 (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: SPF_A_13(1SUS) / Model_15(1SUS/A) = [4.1] Download1418.883.67MGMDQQPNPPDVDAFLDSTLVGDDPALAAALAASDAAELPRIAVSAQQGKFLCLLAGAIQARRVLEIGTLGGFSTIWLARGAGPQGRVVTLEYQPKHAEVARVNLQRAGVADRVEVVVGPALDTLPTLAGGPFDLVFIDADKENNVAYIQWAIRLARRGAVIVVDNVIRGGGILAESDDADAVAARRTLQMMGEHPGLDATAIQTVGRKGWDGFALALVR
Complex: SAH_B_7(4YMH) / Model_33(4YMH/B) = [4.9] Download996.3127.39MGMDQQPNPPDVDAFLDSTLVGDDPALAAALAASDAAELPRIAVSAQQGKFLCLLAGAIQARRVLEIGTLGGFSTIWLARGAGPQGRVVTLEYQPKHAEVARVNLQRAGVADRVEVVVGPALDTLPTLAGGPFDLVFIDADKENNVAYIQWAIRLARRGAVIVVDNVIRGGGILAESDDADAVAARRTLQMMGEHPGLDATAIQTVGRKGWDGFALALVR
Complex: SAH_A_3(3TR6) / Model_6(3TR6/A) = [5.2] Download1213.2629.88MGMDQQPNPPDVDAFLDSTLVGDDPALAAALAASDAAELPRIAVSAQQGKFLCLLAGAIQARRVLEIGTLGGFSTIWLARGAGPQGRVVTLEYQPKHAEVARVNLQRAGVADRVEVVVGPALDTLPTLAGGPFDLVFIDADKENNVAYIQWAIRLARRGAVIVVDNVIRGGGILAESDDADAVAARRTLQMMGEHPGLDATAIQTVGRKGWDGFALALVR
Complex: SAH_A_3(3DUW) / Model_2(3DUW/A) = [6.8] Download813.5327.11MGMDQQPNPPDVDAFLDSTLVGDDPALAAALAASDAAELPRIAVSAQQGKFLCLLAGAIQARRVLEIGTLGGFSTIWLARGAGPQGRVVTLEYQPKHAEVARVNLQRAGVADRVEVVVGPALDTLPTLAGGPFDLVFIDADKENNVAYIQWAIRLARRGAVIVVDNVIRGGGILAESDDADAVAARRTLQMMGEHPGLDATAIQTVGRKGWDGFALALVR
Complex: SAH_A_3(3DUW) / Model_118(3DUW/A) = [6.8] Download905.1127.11MGMDQQPNPPDVDAFLDSTLVGDDPALAAALAASDAAELPRIAVSAQQGKFLCLLAGAIQARRVLEIGTLGGFSTIWLARGAGPQGRVVTLEYQPKHAEVARVNLQRAGVADRVEVVVGPALDTLPTLAGGPFDLVFIDADKENNVAYIQWAIRLARRGAVIVVDNVIRGGGILAESDDADAVAARRTLQMMGEHPGLDATAIQTVGRKGWDGFALALVR
Consensus
[pKd Mean = 5.56]
-1069
(s=219)
23
(s=9)
MGMDQQPNPPDVDAFLDSTLVGDDPALAAALAASDAAELPRIAVSAQQGKFLCLLAGAIQARRVLEIGTLGGFSTIWLARGAGPQGRVVTLEYQPKHAEVARVNLQRAGVADRVEVVVGPALDTLPTLAGGPFDLVFIDADKENNVAYIQWAIRLARRGAVIVVDNVIRGGGILAESDDADAVAARRTLQMMGEHPGLDATAIQTVGRKGWDGFALALVR