Study : Wbm0773 (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: FLQ_C_5(2FDC) / Model_22(2FDC/B) = [4.1] Download1377.0432.00MKFQLVTHFQPAGDQPQAIDSLVAGLNDNKRDQVLLGVTGSGKTFTMANVIARTNRPALIIAHNKTLAAQLYEEMKGFFPHNAVEYFISYYDYYQPEAYLPQTDTYIEKDSVINERIDMLRYSAVCSLLERRDTIVVASVSCIYGLGSPESYLSMTITLSTGDRIRINDFLNDLANLQYKRSDIRFERGYFRMRGDVIDIFPAYYEDKAWRLLLIGNEIEGISEINAITGNIIKCIDKITIFPNSYHITSRETLLRAVQPIREELNERLDYYYSQNKIVEAQRLEQRTNFDIEMMVATGTCKGIENYSRYLYGMEAGDAPPTLFEYLPEDVILFVDESHVTVPQIGAMYNGNESRKKKLIDHGFRLPSAFDNRPLKFKEWESMRPQTIYISATPGKYELARTNNLFVEQVIRPTGITDPICIVKPAEAQVYDVVHEAQVTIKRGFCVLITTLTKKMAEKLAEHMSELNMKVSYLHSDISALERIDIVYKLRSKEIDVLIGVNLLREGLDIPECGLVAILDADKEGFLRSETSLIQTIGRAARNAESRAILYADKVTGSMDRALKETERRRKKQKKYSVLHNVLPKTIIKPISNTLKEKVVVKVTTIGMNKDTVSSLRKQMLAHAKNLEFEEAAKIKNIIGRINNL
Complex: NACID_D_1(2NMV) / Model_2(2NMV/A) = [8.1] Download--MKFQLVTHFQPAGDQPQAIDSLVAGLNDNKRDQVLLGVTGSGKTFTMANVIARTNRPALIIAHNKTLAAQLYEEMKGFFPHNAVEYFISYYDYYQPEAYLPQTDTYIEKDSVINERIDMLRYSAVCSLLERRDTIVVASVSCIYGLGSPESYLSMTITLSTGDRIRINDFLNDLANLQYKRSDIRFERGYFRMRGDVIDIFPAYYEDKAWRLLLIGNEIEGISEINAITGNIIKCIDKITIFPNSYHITSRETLLRAVQPIREELNERLDYYYSQNKIVEAQRLEQRTNFDIEMMVATGTCKGIENYSRYLYGMEAGDAPPTLFEYLPEDVILFVDESHVTVPQIGAMYNGNESRKKKLIDHGFRLPSAFDNRPLKFKEWESMRPQTIYISATPGKYELARTNNLFVEQVIRPTGITDPICIVKPAEAQVYDVVHEAQVTIKRGFCVLITTLTKKMAEKLAEHMSELNMKVSYLHSDISALERIDIVYKLRSKEIDVLIGVNLLREGLDIPECGLVAILDADKEGFLRSETSLIQTIGRAARNAESRAILYADKVTGSMDRALKETERRRKKQKKYSVLHNVLPKTIIKPISNTLKEKVVVKVTTIGMNKDTVSSLRKQMLAHAKNLEFEEAAKIKNIIGRINNL
Complex: NACID_D_1(2D7D) / Model_1(2D7D/A) = [8.5] Download--MKFQLVTHFQPAGDQPQAIDSLVAGLNDNKRDQVLLGVTGSGKTFTMANVIARTNRPALIIAHNKTLAAQLYEEMKGFFPHNAVEYFISYYDYYQPEAYLPQTDTYIEKDSVINERIDMLRYSAVCSLLERRDTIVVASVSCIYGLGSPESYLSMTITLSTGDRIRINDFLNDLANLQYKRSDIRFERGYFRMRGDVIDIFPAYYEDKAWRLLLIGNEIEGISEINAITGNIIKCIDKITIFPNSYHITSRETLLRAVQPIREELNERLDYYYSQNKIVEAQRLEQRTNFDIEMMVATGTCKGIENYSRYLYGMEAGDAPPTLFEYLPEDVILFVDESHVTVPQIGAMYNGNESRKKKLIDHGFRLPSAFDNRPLKFKEWESMRPQTIYISATPGKYELARTNNLFVEQVIRPTGITDPICIVKPAEAQVYDVVHEAQVTIKRGFCVLITTLTKKMAEKLAEHMSELNMKVSYLHSDISALERIDIVYKLRSKEIDVLIGVNLLREGLDIPECGLVAILDADKEGFLRSETSLIQTIGRAARNAESRAILYADKVTGSMDRALKETERRRKKQKKYSVLHNVLPKTIIKPISNTLKEKVVVKVTTIGMNKDTVSSLRKQMLAHAKNLEFEEAAKIKNIIGRINNL
Complex: NACID_D_1(2D7D) / Model_37(2D7D/A) = [8.5] Download--MKFQLVTHFQPAGDQPQAIDSLVAGLNDNKRDQVLLGVTGSGKTFTMANVIARTNRPALIIAHNKTLAAQLYEEMKGFFPHNAVEYFISYYDYYQPEAYLPQTDTYIEKDSVINERIDMLRYSAVCSLLERRDTIVVASVSCIYGLGSPESYLSMTITLSTGDRIRINDFLNDLANLQYKRSDIRFERGYFRMRGDVIDIFPAYYEDKAWRLLLIGNEIEGISEINAITGNIIKCIDKITIFPNSYHITSRETLLRAVQPIREELNERLDYYYSQNKIVEAQRLEQRTNFDIEMMVATGTCKGIENYSRYLYGMEAGDAPPTLFEYLPEDVILFVDESHVTVPQIGAMYNGNESRKKKLIDHGFRLPSAFDNRPLKFKEWESMRPQTIYISATPGKYELARTNNLFVEQVIRPTGITDPICIVKPAEAQVYDVVHEAQVTIKRGFCVLITTLTKKMAEKLAEHMSELNMKVSYLHSDISALERIDIVYKLRSKEIDVLIGVNLLREGLDIPECGLVAILDADKEGFLRSETSLIQTIGRAARNAESRAILYADKVTGSMDRALKETERRRKKQKKYSVLHNVLPKTIIKPISNTLKEKVVVKVTTIGMNKDTVSSLRKQMLAHAKNLEFEEAAKIKNIIGRINNL
Complex: CHAIN_D_4(3V4R) / Model_3(3V4R/A) = [10.6] Download--MKFQLVTHFQPAGDQPQAIDSLVAGLNDNKRDQVLLGVTGSGKTFTMANVIARTNRPALIIAHNKTLAAQLYEEMKGFFPHNAVEYFISYYDYYQPEAYLPQTDTYIEKDSVINERIDMLRYSAVCSLLERRDTIVVASVSCIYGLGSPESYLSMTITLSTGDRIRINDFLNDLANLQYKRSDIRFERGYFRMRGDVIDIFPAYYEDKAWRLLLIGNEIEGISEINAITGNIIKCIDKITIFPNSYHITSRETLLRAVQPIREELNERLDYYYSQNKIVEAQRLEQRTNFDIEMMVATGTCKGIENYSRYLYGMEAGDAPPTLFEYLPEDVILFVDESHVTVPQIGAMYNGNESRKKKLIDHGFRLPSAFDNRPLKFKEWESMRPQTIYISATPGKYELARTNNLFVEQVIRPTGITDPICIVKPAEAQVYDVVHEAQVTIKRGFCVLITTLTKKMAEKLAEHMSELNMKVSYLHSDISALERIDIVYKLRSKEIDVLIGVNLLREGLDIPECGLVAILDADKEGFLRSETSLIQTIGRAARNAESRAILYADKVTGSMDRALKETERRRKKQKKYSVLHNVLPKTIIKPISNTLKEKVVVKVTTIGMNKDTVSSLRKQMLAHAKNLEFEEAAKIKNIIGRINNL
Consensus
[pKd Mean = 7.96]
-1377
(s=0)
32
(s=0)
MKFQLVTHFQPAGDQPQAIDSLVAGLNDNKRDQVLLGVTGSGKTFTMANVIARTNRPALIIAHNKTLAAQLYEEMKGFFPHNAVEYFISYYDYYQPEAYLPQTDTYIEKDSVINERIDMLRYSAVCSLLERRDTIVVASVSCIYGLGSPESYLSMTITLSTGDRIRINDFLNDLANLQYKRSDIRFERGYFRMRGDVIDIFPAYYEDKAWRLLLIGNEIEGISEINAITGNIIKCIDKITIFPNSYHITSRETLLRAVQPIREELNERLDYYYSQNKIVEAQRLEQRTNFDIEMMVATGTCKGIENYSRYLYGMEAGDAPPTLFEYLPEDVILFVDESHVTVPQIGAMYNGNESRKKKLIDHGFRLPSAFDNRPLKFKEWESMRPQTIYISATPGKYELARTNNLFVEQVIRPTGITDPICIVKPAEAQVYDVVHEAQVTIKRGFCVLITTLTKKMAEKLAEHMSELNMKVSYLHSDISALERIDIVYKLRSKEIDVLIGVNLLREGLDIPECGLVAILDADKEGFLRSETSLIQTIGRAARNAESRAILYADKVTGSMDRALKETERRRKKQKKYSVLHNVLPKTIIKPISNTLKEKVVVKVTTIGMNKDTVSSLRKQMLAHAKNLEFEEAAKIKNIIGRINNL