Study : bsu04490 (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] : 5 (5 maxi)

Complexes [Theoretical pKd]FileVolume (A3)
(FPocket)
Hydrophobicity
Score(FPocket)
Contacts Ligand/Receptor [<4A] in Site C1_S1
Complex: ATP_J_5(4YMV) / Model_5(4YMV/J) = [4.5] Download1172.66-7.33MAEPILHIEGLDKKIGSKQILKQISMDVMEGEIIGLLGPNGSGKTTLIRIIVGLLKQNSGSVTISGFQHDTEFEKAMEAVGAIVENPEFYPYLTGWENLKHFANMHKKIADERLDEVVERVGLTSAIHDKVKTYSLGMRQRLGIAQAILHRPKLLILDEPTNGLDPAGMKDFRDHIKELAEMEGTAVLFATHLLREVEDLCDRVIIIQKGEIKAEVSLQGTDQTTEKAIIEVQPQEKALNWLTGNQYQAESQDGTIVVEVAKENIPELNRSLVGQDLNVFSITPYTQSLEDEFIKATTAHQEEGEELV
Complex: ATP_A_7(4YMU) / Model_22(4YMU/A) = [4.8] Download1366.92-3.78MAEPILHIEGLDKKIGSKQILKQISMDVMEGEIIGLLGPNGSGKTTLIRIIVGLLKQNSGSVTISGFQHDTEFEKAMEAVGAIVENPEFYPYLTGWENLKHFANMHKKIADERLDEVVERVGLTSAIHDKVKTYSLGMRQRLGIAQAILHRPKLLILDEPTNGLDPAGMKDFRDHIKELAEMEGTAVLFATHLLREVEDLCDRVIIIQKGEIKAEVSLQGTDQTTEKAIIEVQPQEKALNWLTGNQYQAESQDGTIVVEVAKENIPELNRSLVGQDLNVFSITPYTQSLEDEFIKATTAHQEEGEELV
Complex: ADP_A_5(4HLU) / Model_46(4HLU/A) = [5.0] Download663.8610.93MAEPILHIEGLDKKIGSKQILKQISMDVMEGEIIGLLGPNGSGKTTLIRIIVGLLKQNSGSVTISGFQHDTEFEKAMEAVGAIVENPEFYPYLTGWENLKHFANMHKKIADERLDEVVERVGLTSAIHDKVKTYSLGMRQRLGIAQAILHRPKLLILDEPTNGLDPAGMKDFRDHIKELAEMEGTAVLFATHLLREVEDLCDRVIIIQKGEIKAEVSLQGTDQTTEKAIIEVQPQEKALNWLTGNQYQAESQDGTIVVEVAKENIPELNRSLVGQDLNVFSITPYTQSLEDEFIKATTAHQEEGEELV
Complex: ADP_A_2(4U00) / Model_8(4U00/A) = [5.1] Download941.63-0.31MAEPILHIEGLDKKIGSKQILKQISMDVMEGEIIGLLGPNGSGKTTLIRIIVGLLKQNSGSVTISGFQHDTEFEKAMEAVGAIVENPEFYPYLTGWENLKHFANMHKKIADERLDEVVERVGLTSAIHDKVKTYSLGMRQRLGIAQAILHRPKLLILDEPTNGLDPAGMKDFRDHIKELAEMEGTAVLFATHLLREVEDLCDRVIIIQKGEIKAEVSLQGTDQTTEKAIIEVQPQEKALNWLTGNQYQAESQDGTIVVEVAKENIPELNRSLVGQDLNVFSITPYTQSLEDEFIKATTAHQEEGEELV
Complex: ANP_A_6(4ZIR) / Model_44(4ZIR/A) = [5.2] Download1089.8711.16MAEPILHIEGLDKKIGSKQILKQISMDVMEGEIIGLLGPNGSGKTTLIRIIVGLLKQNSGSVTISGFQHDTEFEKAMEAVGAIVENPEFYPYLTGWENLKHFANMHKKIADERLDEVVERVGLTSAIHDKVKTYSLGMRQRLGIAQAILHRPKLLILDEPTNGLDPAGMKDFRDHIKELAEMEGTAVLFATHLLREVEDLCDRVIIIQKGEIKAEVSLQGTDQTTEKAIIEVQPQEKALNWLTGNQYQAESQDGTIVVEVAKENIPELNRSLVGQDLNVFSITPYTQSLEDEFIKATTAHQEEGEELV
Consensus
[pKd Mean = 4.92]
-1046
(s=235)
2
(s=7)
MAEPILHIEGLDKKIGSKQILKQISMDVMEGEIIGLLGPNGSGKTTLIRIIVGLLKQNSGSVTISGFQHDTEFEKAMEAVGAIVENPEFYPYLTGWENLKHFANMHKKIADERLDEVVERVGLTSAIHDKVKTYSLGMRQRLGIAQAILHRPKLLILDEPTNGLDPAGMKDFRDHIKELAEMEGTAVLFATHLLREVEDLCDRVIIIQKGEIKAEVSLQGTDQTTEKAIIEVQPQEKALNWLTGNQYQAESQDGTIVVEVAKENIPELNRSLVGQDLNVFSITPYTQSLEDEFIKATTAHQEEGEELV