Study : bsu29650 (atomeDB@cbs.cnrs.fr)


Main Binding Site Prediction:


Binding Site Prediction

Download fasta file
Download text file


Binding Site Number :C1_S1
Best Complexes choosen after comparative docking [pKd > 3] : 2 (5 maxi)

Complexes [Theoretical pKd]FileVolume (A3)
(FPocket)
Hydrophobicity
Score(FPocket)
Contacts Ligand/Receptor [<4A] in Site C1_S1
Complex: C2E_A_3(3IGN) / Model_48(3IGN/A) = [4.2] Download1368.74-9.33MVEQTKDQLSAFHYHMLDFLLTKSEKVTFTDSFIWLTSAIQTYFSTLCVSLTPSPSDFVTKLADGEARFSASKINASCYLIEDGSGRRFHLACRQDEEIPEGLPDVVASFLNQSMKQERLYNKTIYQKKIYKMTELFHSLLDQTDVLKQLLESLTSTFSLFEFSLFISHDQDQCLGIPAKELYMEGEKSDSFALKVYLSGDILRKNESVAYIPIKGQQGTYGVLKAEGTGDSFLTDACLDEMSLLANAAGKAFENAQLYEQSKASIANLELINETSRRLNQRLTLTDTMNDLAVRMAESFQAEEVGFFHIDHFENLTLLPGSTAFFKEAKPSDFYNELKEKLYEGEKGVFIGNGQSVFGKAGYGSLMAAPMIQNDRLLGFAVLLKQELYAFTFEMYKLFQALIHHATLAVTNSMLRDRLEHLVKTDQLTELYSRAYLDEKIQYSMKIHQKGVFILVDIDNFKNVNDTYGHQTGDEILIQVASVIKSNIRKHDVGARWGGEELAIYLPNVPVAVGKRITERLVYAVRKNTKPEVTISCGISCWTTETKKSLKELVHEADEALYSAKRSGKNRLMIHDSIK
Complex: C2E_A_3(3IGN) / Model_1(3IGN/A) = [4.2] Download1233.28-9.33MVEQTKDQLSAFHYHMLDFLLTKSEKVTFTDSFIWLTSAIQTYFSTLCVSLTPSPSDFVTKLADGEARFSASKINASCYLIEDGSGRRFHLACRQDEEIPEGLPDVVASFLNQSMKQERLYNKTIYQKKIYKMTELFHSLLDQTDVLKQLLESLTSTFSLFEFSLFISHDQDQCLGIPAKELYMEGEKSDSFALKVYLSGDILRKNESVAYIPIKGQQGTYGVLKAEGTGDSFLTDACLDEMSLLANAAGKAFENAQLYEQSKASIANLELINETSRRLNQRLTLTDTMNDLAVRMAESFQAEEVGFFHIDHFENLTLLPGSTAFFKEAKPSDFYNELKEKLYEGEKGVFIGNGQSVFGKAGYGSLMAAPMIQNDRLLGFAVLLKQELYAFTFEMYKLFQALIHHATLAVTNSMLRDRLEHLVKTDQLTELYSRAYLDEKIQYSMKIHQKGVFILVDIDNFKNVNDTYGHQTGDEILIQVASVIKSNIRKHDVGARWGGEELAIYLPNVPVAVGKRITERLVYAVRKNTKPEVTISCGISCWTTETKKSLKELVHEADEALYSAKRSGKNRLMIHDSIK
Consensus
[pKd Mean = 4.20]
-1301
(s=67)
-9
(s=0)
MVEQTKDQLSAFHYHMLDFLLTKSEKVTFTDSFIWLTSAIQTYFSTLCVSLTPSPSDFVTKLADGEARFSASKINASCYLIEDGSGRRFHLACRQDEEIPEGLPDVVASFLNQSMKQERLYNKTIYQKKIYKMTELFHSLLDQTDVLKQLLESLTSTFSLFEFSLFISHDQDQCLGIPAKELYMEGEKSDSFALKVYLSGDILRKNESVAYIPIKGQQGTYGVLKAEGTGDSFLTDACLDEMSLLANAAGKAFENAQLYEQSKASIANLELINETSRRLNQRLTLTDTMNDLAVRMAESFQAEEVGFFHIDHFENLTLLPGSTAFFKEAKPSDFYNELKEKLYEGEKGVFIGNGQSVFGKAGYGSLMAAPMIQNDRLLGFAVLLKQELYAFTFEMYKLFQALIHHATLAVTNSMLRDRLEHLVKTDQLTELYSRAYLDEKIQYSMKIHQKGVFILVDIDNFKNVNDTYGHQTGDEILIQVASVIKSNIRKHDVGARWGGEELAIYLPNVPVAVGKRITERLVYAVRKNTKPEVTISCGISCWTTETKKSLKELVHEADEALYSAKRSGKNRLMIHDSIK