Study : Lmo0232 (atomeDB@cbs.cnrs.fr)


Main Binding Site Prediction:


Binding Site Prediction

Download fasta file
Download text file


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: ADP_B_5(4FD2) / Model_24(4FD2/B) = [6.1] Download1004.9624.88MMFGRFTQRAQKVLALSQEEAMRLNHSNLGTEHILLGLVREGEGIAAKALYELGISSEKVQQEVEGLIGHGEKAVTTIQYTPRAKKVIELSMDEARKLGHTYVGTEHILLGLIREGEGVAARVLSNLGISLNKARQQVLQLLGGGDATGAGRQTNTQATPTLDSLARDLTVIAREDNLDPVIGRSKEIQRVIEVLSRRTKNNPVLIGEPGVGKTAIAEGLAQQIVRNEVPETLRGKRVMTLDMGTVVAGTKYRGEFEDRLKKVMDEIRQAGNVILFIDELHTLIGAGGAEGAIDASNILKPPLARGELQCIGATTLDEYRKYIEKDAALERRFQPIKVDEPTVEESIQILHGLRDRYEAHHRVAITDEALEAAVRLSDRYISDRFLPDKAIDVIDESGSKVRLKSFTTPKNVKEMENNLSDLKKEKDAAVQGQEFEKAASLRDKEQKLKKSLEETKANWQEKQGLDHSEVTEDIVAEVVASWTGIPVAKLAETETNKLLNMEKLLHERVIGQDAAVKAVSLAVRRARAGLKDPKRPIGSFIFLGPTGVGKTELARALAESMFGDEDSMIRIDMSEYMEKFSTARLVGAPPGYVGYEEGGQLTEKVRQKPYSVVLLDEIEKAHPDVFNMLLQVLDDGRLTDSKGRVVDFRNTVIIMTSNIGAQEMKQDKSMGFNVTDPLKDHKAMEHRVLQDLKQAFRPEFINRIDETIVFHSLQEKELKQIVTLLTAQLTKRLAERDIHVKLTEGAKSKIAKDGYDPEYGARPLKRAIQKEVEDMLSEELLRGNIKVGDYVEIGVKDGKLEVRKKDAPKKKTTSKKVKAK
Complex: ADP_D_6(4FD2) / Model_23(4FD2/D) = [6.1] Download935.2229.56MMFGRFTQRAQKVLALSQEEAMRLNHSNLGTEHILLGLVREGEGIAAKALYELGISSEKVQQEVEGLIGHGEKAVTTIQYTPRAKKVIELSMDEARKLGHTYVGTEHILLGLIREGEGVAARVLSNLGISLNKARQQVLQLLGGGDATGAGRQTNTQATPTLDSLARDLTVIAREDNLDPVIGRSKEIQRVIEVLSRRTKNNPVLIGEPGVGKTAIAEGLAQQIVRNEVPETLRGKRVMTLDMGTVVAGTKYRGEFEDRLKKVMDEIRQAGNVILFIDELHTLIGAGGAEGAIDASNILKPPLARGELQCIGATTLDEYRKYIEKDAALERRFQPIKVDEPTVEESIQILHGLRDRYEAHHRVAITDEALEAAVRLSDRYISDRFLPDKAIDVIDESGSKVRLKSFTTPKNVKEMENNLSDLKKEKDAAVQGQEFEKAASLRDKEQKLKKSLEETKANWQEKQGLDHSEVTEDIVAEVVASWTGIPVAKLAETETNKLLNMEKLLHERVIGQDAAVKAVSLAVRRARAGLKDPKRPIGSFIFLGPTGVGKTELARALAESMFGDEDSMIRIDMSEYMEKFSTARLVGAPPGYVGYEEGGQLTEKVRQKPYSVVLLDEIEKAHPDVFNMLLQVLDDGRLTDSKGRVVDFRNTVIIMTSNIGAQEMKQDKSMGFNVTDPLKDHKAMEHRVLQDLKQAFRPEFINRIDETIVFHSLQEKELKQIVTLLTAQLTKRLAERDIHVKLTEGAKSKIAKDGYDPEYGARPLKRAIQKEVEDMLSEELLRGNIKVGDYVEIGVKDGKLEVRKKDAPKKKTTSKKVKAK
Complex: ADP_A_2(4LJ5) / Model_4(4LJ5/A) = [6.6] Download1042.5623.04MMFGRFTQRAQKVLALSQEEAMRLNHSNLGTEHILLGLVREGEGIAAKALYELGISSEKVQQEVEGLIGHGEKAVTTIQYTPRAKKVIELSMDEARKLGHTYVGTEHILLGLIREGEGVAARVLSNLGISLNKARQQVLQLLGGGDATGAGRQTNTQATPTLDSLARDLTVIAREDNLDPVIGRSKEIQRVIEVLSRRTKNNPVLIGEPGVGKTAIAEGLAQQIVRNEVPETLRGKRVMTLDMGTVVAGTKYRGEFEDRLKKVMDEIRQAGNVILFIDELHTLIGAGGAEGAIDASNILKPPLARGELQCIGATTLDEYRKYIEKDAALERRFQPIKVDEPTVEESIQILHGLRDRYEAHHRVAITDEALEAAVRLSDRYISDRFLPDKAIDVIDESGSKVRLKSFTTPKNVKEMENNLSDLKKEKDAAVQGQEFEKAASLRDKEQKLKKSLEETKANWQEKQGLDHSEVTEDIVAEVVASWTGIPVAKLAETETNKLLNMEKLLHERVIGQDAAVKAVSLAVRRARAGLKDPKRPIGSFIFLGPTGVGKTELARALAESMFGDEDSMIRIDMSEYMEKFSTARLVGAPPGYVGYEEGGQLTEKVRQKPYSVVLLDEIEKAHPDVFNMLLQVLDDGRLTDSKGRVVDFRNTVIIMTSNIGAQEMKQDKSMGFNVTDPLKDHKAMEHRVLQDLKQAFRPEFINRIDETIVFHSLQEKELKQIVTLLTAQLTKRLAERDIHVKLTEGAKSKIAKDGYDPEYGARPLKRAIQKEVEDMLSEELLRGNIKVGDYVEIGVKDGKLEVRKKDAPKKKTTSKKVKAK
Complex: ADP_A_4(4FD2) / Model_9(4FD2/A) = [6.6] Download968.7226.85MMFGRFTQRAQKVLALSQEEAMRLNHSNLGTEHILLGLVREGEGIAAKALYELGISSEKVQQEVEGLIGHGEKAVTTIQYTPRAKKVIELSMDEARKLGHTYVGTEHILLGLIREGEGVAARVLSNLGISLNKARQQVLQLLGGGDATGAGRQTNTQATPTLDSLARDLTVIAREDNLDPVIGRSKEIQRVIEVLSRRTKNNPVLIGEPGVGKTAIAEGLAQQIVRNEVPETLRGKRVMTLDMGTVVAGTKYRGEFEDRLKKVMDEIRQAGNVILFIDELHTLIGAGGAEGAIDASNILKPPLARGELQCIGATTLDEYRKYIEKDAALERRFQPIKVDEPTVEESIQILHGLRDRYEAHHRVAITDEALEAAVRLSDRYISDRFLPDKAIDVIDESGSKVRLKSFTTPKNVKEMENNLSDLKKEKDAAVQGQEFEKAASLRDKEQKLKKSLEETKANWQEKQGLDHSEVTEDIVAEVVASWTGIPVAKLAETETNKLLNMEKLLHERVIGQDAAVKAVSLAVRRARAGLKDPKRPIGSFIFLGPTGVGKTELARALAESMFGDEDSMIRIDMSEYMEKFSTARLVGAPPGYVGYEEGGQLTEKVRQKPYSVVLLDEIEKAHPDVFNMLLQVLDDGRLTDSKGRVVDFRNTVIIMTSNIGAQEMKQDKSMGFNVTDPLKDHKAMEHRVLQDLKQAFRPEFINRIDETIVFHSLQEKELKQIVTLLTAQLTKRLAERDIHVKLTEGAKSKIAKDGYDPEYGARPLKRAIQKEVEDMLSEELLRGNIKVGDYVEIGVKDGKLEVRKKDAPKKKTTSKKVKAK
Complex: ADP_A_4(4FCV) / Model_10(4FCV/A) = [6.6] Download1139.9224.88MMFGRFTQRAQKVLALSQEEAMRLNHSNLGTEHILLGLVREGEGIAAKALYELGISSEKVQQEVEGLIGHGEKAVTTIQYTPRAKKVIELSMDEARKLGHTYVGTEHILLGLIREGEGVAARVLSNLGISLNKARQQVLQLLGGGDATGAGRQTNTQATPTLDSLARDLTVIAREDNLDPVIGRSKEIQRVIEVLSRRTKNNPVLIGEPGVGKTAIAEGLAQQIVRNEVPETLRGKRVMTLDMGTVVAGTKYRGEFEDRLKKVMDEIRQAGNVILFIDELHTLIGAGGAEGAIDASNILKPPLARGELQCIGATTLDEYRKYIEKDAALERRFQPIKVDEPTVEESIQILHGLRDRYEAHHRVAITDEALEAAVRLSDRYISDRFLPDKAIDVIDESGSKVRLKSFTTPKNVKEMENNLSDLKKEKDAAVQGQEFEKAASLRDKEQKLKKSLEETKANWQEKQGLDHSEVTEDIVAEVVASWTGIPVAKLAETETNKLLNMEKLLHERVIGQDAAVKAVSLAVRRARAGLKDPKRPIGSFIFLGPTGVGKTELARALAESMFGDEDSMIRIDMSEYMEKFSTARLVGAPPGYVGYEEGGQLTEKVRQKPYSVVLLDEIEKAHPDVFNMLLQVLDDGRLTDSKGRVVDFRNTVIIMTSNIGAQEMKQDKSMGFNVTDPLKDHKAMEHRVLQDLKQAFRPEFINRIDETIVFHSLQEKELKQIVTLLTAQLTKRLAERDIHVKLTEGAKSKIAKDGYDPEYGARPLKRAIQKEVEDMLSEELLRGNIKVGDYVEIGVKDGKLEVRKKDAPKKKTTSKKVKAK
Consensus
[pKd Mean = 6.40]
-1018
(s=70)
25
(s=2)
MMFGRFTQRAQKVLALSQEEAMRLNHSNLGTEHILLGLVREGEGIAAKALYELGISSEKVQQEVEGLIGHGEKAVTTIQYTPRAKKVIELSMDEARKLGHTYVGTEHILLGLIREGEGVAARVLSNLGISLNKARQQVLQLLGGGDATGAGRQTNTQATPTLDSLARDLTVIAREDNLDPVIGRSKEIQRVIEVLSRRTKNNPVLIGEPGVGKTAIAEGLAQQIVRNEVPETLRGKRVMTLDMGTVVAGTKYRGEFEDRLKKVMDEIRQAGNVILFIDELHTLIGAGGAEGAIDASNILKPPLARGELQCIGATTLDEYRKYIEKDAALERRFQPIKVDEPTVEESIQILHGLRDRYEAHHRVAITDEALEAAVRLSDRYISDRFLPDKAIDVIDESGSKVRLKSFTTPKNVKEMENNLSDLKKEKDAAVQGQEFEKAASLRDKEQKLKKSLEETKANWQEKQGLDHSEVTEDIVAEVVASWTGIPVAKLAETETNKLLNMEKLLHERVIGQDAAVKAVSLAVRRARAGLKDPKRPIGSFIFLGPTGVGKTELARALAESMFGDEDSMIRIDMSEYMEKFSTARLVGAPPGYVGYEEGGQLTEKVRQKPYSVVLLDEIEKAHPDVFNMLLQVLDDGRLTDSKGRVVDFRNTVIIMTSNIGAQEMKQDKSMGFNVTDPLKDHKAMEHRVLQDLKQAFRPEFINRIDETIVFHSLQEKELKQIVTLLTAQLTKRLAERDIHVKLTEGAKSKIAKDGYDPEYGARPLKRAIQKEVEDMLSEELLRGNIKVGDYVEIGVKDGKLEVRKKDAPKKKTTSKKVKAK