Study : Rv2914c (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: 3FE_A_3(4U8Z) / Model_17(4U8Z/A) = [3.7] Download1033.1737.29MALASGVTFAGYTVVRMLGCSAMGEVYLVQHPGFPGWQALKVLSPAMAADDEFRRRFQRETEVAARLFHPHILEVHDRGEFDGQLWIAMDYVDGIDATQHMADRFPAVLPVGEVLAIVTAVAGALDYAHQRGLLHRDVNPANVVLTSQSAGDQRILLADFGIASQPSYPAPELSAGADVDGRADQYALALTAIHLFAGAPPVDRSHTGPLQPPKLSAFRPDLARLDGVLSRALATAPADRFGSCREFADAMNEQAGVAIADQSSGGVDASEVTAAAGEEAYVVDYPAYGWPEAVDCKEPSARAPAPAAPTPQRRGSMLQSAAGVLARRLDNFSTATKAPASPTRRRPRRILVGAVAVLLLAGLFAVGIVIGRKTNTTATEVARPPTSGSAVPSAPTTTVAVTAPVPLDGTYRIEIQRSKQTYDYTPTPQPPDVNTWWAFRTSCTPTECLAAATMLDDNDHTQAKTPPVRPFLMQFGEGQWKSRPETVQFPCVGPNGSPSTQATTQLLALRPQPQGDLVGEMVVTVHSNECGQQGAVIRIPAVASRSGDLPPAVTVPDPATIPDTPDTTSTATLTPPTTTAPGPGR
Complex: ADP_A_2(3F61) / Model_7(3F61/A) = [4.4] Download954.0728.10MALASGVTFAGYTVVRMLGCSAMGEVYLVQHPGFPGWQALKVLSPAMAADDEFRRRFQRETEVAARLFHPHILEVHDRGEFDGQLWIAMDYVDGIDATQHMADRFPAVLPVGEVLAIVTAVAGALDYAHQRGLLHRDVNPANVVLTSQSAGDQRILLADFGIASQPSYPAPELSAGADVDGRADQYALALTAIHLFAGAPPVDRSHTGPLQPPKLSAFRPDLARLDGVLSRALATAPADRFGSCREFADAMNEQAGVAIADQSSGGVDASEVTAAAGEEAYVVDYPAYGWPEAVDCKEPSARAPAPAAPTPQRRGSMLQSAAGVLARRLDNFSTATKAPASPTRRRPRRILVGAVAVLLLAGLFAVGIVIGRKTNTTATEVARPPTSGSAVPSAPTTTVAVTAPVPLDGTYRIEIQRSKQTYDYTPTPQPPDVNTWWAFRTSCTPTECLAAATMLDDNDHTQAKTPPVRPFLMQFGEGQWKSRPETVQFPCVGPNGSPSTQATTQLLALRPQPQGDLVGEMVVTVHSNECGQQGAVIRIPAVASRSGDLPPAVTVPDPATIPDTPDTTSTATLTPPTTTAPGPGR
Complex: 3JB_A_2(4W8E) / Model_19(4W8E/A) = [4.5] Download1227.4337.29MALASGVTFAGYTVVRMLGCSAMGEVYLVQHPGFPGWQALKVLSPAMAADDEFRRRFQRETEVAARLFHPHILEVHDRGEFDGQLWIAMDYVDGIDATQHMADRFPAVLPVGEVLAIVTAVAGALDYAHQRGLLHRDVNPANVVLTSQSAGDQRILLADFGIASQPSYPAPELSAGADVDGRADQYALALTAIHLFAGAPPVDRSHTGPLQPPKLSAFRPDLARLDGVLSRALATAPADRFGSCREFADAMNEQAGVAIADQSSGGVDASEVTAAAGEEAYVVDYPAYGWPEAVDCKEPSARAPAPAAPTPQRRGSMLQSAAGVLARRLDNFSTATKAPASPTRRRPRRILVGAVAVLLLAGLFAVGIVIGRKTNTTATEVARPPTSGSAVPSAPTTTVAVTAPVPLDGTYRIEIQRSKQTYDYTPTPQPPDVNTWWAFRTSCTPTECLAAATMLDDNDHTQAKTPPVRPFLMQFGEGQWKSRPETVQFPCVGPNGSPSTQATTQLLALRPQPQGDLVGEMVVTVHSNECGQQGAVIRIPAVASRSGDLPPAVTVPDPATIPDTPDTTSTATLTPPTTTAPGPGR
Complex: AGS_A_2(3ORM) / Model_8(3ORM/A) = [4.7] Download1187.0629.07MALASGVTFAGYTVVRMLGCSAMGEVYLVQHPGFPGWQALKVLSPAMAADDEFRRRFQRETEVAARLFHPHILEVHDRGEFDGQLWIAMDYVDGIDATQHMADRFPAVLPVGEVLAIVTAVAGALDYAHQRGLLHRDVNPANVVLTSQSAGDQRILLADFGIASQPSYPAPELSAGADVDGRADQYALALTAIHLFAGAPPVDRSHTGPLQPPKLSAFRPDLARLDGVLSRALATAPADRFGSCREFADAMNEQAGVAIADQSSGGVDASEVTAAAGEEAYVVDYPAYGWPEAVDCKEPSARAPAPAAPTPQRRGSMLQSAAGVLARRLDNFSTATKAPASPTRRRPRRILVGAVAVLLLAGLFAVGIVIGRKTNTTATEVARPPTSGSAVPSAPTTTVAVTAPVPLDGTYRIEIQRSKQTYDYTPTPQPPDVNTWWAFRTSCTPTECLAAATMLDDNDHTQAKTPPVRPFLMQFGEGQWKSRPETVQFPCVGPNGSPSTQATTQLLALRPQPQGDLVGEMVVTVHSNECGQQGAVIRIPAVASRSGDLPPAVTVPDPATIPDTPDTTSTATLTPPTTTAPGPGR
Complex: 3JA_A_2(4W8D) / Model_18(4W8D/A) = [4.8] Download965.8834.71MALASGVTFAGYTVVRMLGCSAMGEVYLVQHPGFPGWQALKVLSPAMAADDEFRRRFQRETEVAARLFHPHILEVHDRGEFDGQLWIAMDYVDGIDATQHMADRFPAVLPVGEVLAIVTAVAGALDYAHQRGLLHRDVNPANVVLTSQSAGDQRILLADFGIASQPSYPAPELSAGADVDGRADQYALALTAIHLFAGAPPVDRSHTGPLQPPKLSAFRPDLARLDGVLSRALATAPADRFGSCREFADAMNEQAGVAIADQSSGGVDASEVTAAAGEEAYVVDYPAYGWPEAVDCKEPSARAPAPAAPTPQRRGSMLQSAAGVLARRLDNFSTATKAPASPTRRRPRRILVGAVAVLLLAGLFAVGIVIGRKTNTTATEVARPPTSGSAVPSAPTTTVAVTAPVPLDGTYRIEIQRSKQTYDYTPTPQPPDVNTWWAFRTSCTPTECLAAATMLDDNDHTQAKTPPVRPFLMQFGEGQWKSRPETVQFPCVGPNGSPSTQATTQLLALRPQPQGDLVGEMVVTVHSNECGQQGAVIRIPAVASRSGDLPPAVTVPDPATIPDTPDTTSTATLTPPTTTAPGPGR
Consensus
[pKd Mean = 4.42]
-1073
(s=113)
33
(s=3)
MALASGVTFAGYTVVRMLGCSAMGEVYLVQHPGFPGWQALKVLSPAMAADDEFRRRFQRETEVAARLFHPHILEVHDRGEFDGQLWIAMDYVDGIDATQHMADRFPAVLPVGEVLAIVTAVAGALDYAHQRGLLHRDVNPANVVLTSQSAGDQRILLADFGIASQPSYPAPELSAGADVDGRADQYALALTAIHLFAGAPPVDRSHTGPLQPPKLSAFRPDLARLDGVLSRALATAPADRFGSCREFADAMNEQAGVAIADQSSGGVDASEVTAAAGEEAYVVDYPAYGWPEAVDCKEPSARAPAPAAPTPQRRGSMLQSAAGVLARRLDNFSTATKAPASPTRRRPRRILVGAVAVLLLAGLFAVGIVIGRKTNTTATEVARPPTSGSAVPSAPTTTVAVTAPVPLDGTYRIEIQRSKQTYDYTPTPQPPDVNTWWAFRTSCTPTECLAAATMLDDNDHTQAKTPPVRPFLMQFGEGQWKSRPETVQFPCVGPNGSPSTQATTQLLALRPQPQGDLVGEMVVTVHSNECGQQGAVIRIPAVASRSGDLPPAVTVPDPATIPDTPDTTSTATLTPPTTTAPGPGR