Study : bsu22360 (atomeDB@cbs.cnrs.fr)


Main Binding Site Prediction:


Binding Site Prediction

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Binding Site Number :C7_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 C7_S1
Complex: ATP_B_4(3NEM) / Model_24(3NEM/B) = [5.9] Download1522.175.18MKTTINQVYKHVGEEVTIGAWVANKRSSGKIAFLQLRDGTGFIQGVVVKAEVEESIFQTAKSVTQETSLYIKGIVKEDERSPLGYELAVTDIEVIHEATDYPITPKEHGTEFLMDHRHLWLRSKRQHAIMKIRNEIIRATYEFFNNEGFVKVDPPILTGSAPEGTTELFATKYFDEDAYLSQSGQLYMEAAAMALGKVFSFGPTFRAEKSKTKRHLIEFWMIEPEMAFVEFEENLQVQENYVSFIVQSVLKNCKIELNTLGRDTSKLEQIKAPFPRITYDEAIEFLKEKGFDDIEWGDDFGAPHETAIAEHYDKPVFITRYPTSLKPFYMQPASDREDVVLCADLIAPEGYGEIIGGSERIHDMELLESRLKEHGLDSDAYKWYAELRKYGSVPHSGFGLGLERTVAWISGAPHVRETIPFPRLLNRLYP
Complex: ATP_B_8(2XTI) / Model_27(2XTI/B) = [6.4] Download1327.9813.47MKTTINQVYKHVGEEVTIGAWVANKRSSGKIAFLQLRDGTGFIQGVVVKAEVEESIFQTAKSVTQETSLYIKGIVKEDERSPLGYELAVTDIEVIHEATDYPITPKEHGTEFLMDHRHLWLRSKRQHAIMKIRNEIIRATYEFFNNEGFVKVDPPILTGSAPEGTTELFATKYFDEDAYLSQSGQLYMEAAAMALGKVFSFGPTFRAEKSKTKRHLIEFWMIEPEMAFVEFEENLQVQENYVSFIVQSVLKNCKIELNTLGRDTSKLEQIKAPFPRITYDEAIEFLKEKGFDDIEWGDDFGAPHETAIAEHYDKPVFITRYPTSLKPFYMQPASDREDVVLCADLIAPEGYGEIIGGSERIHDMELLESRLKEHGLDSDAYKWYAELRKYGSVPHSGFGLGLERTVAWISGAPHVRETIPFPRLLNRLYP
Complex: AMO_A_3(3NEM) / Model_7(3NEM/A) = [6.4] Download840.0011.71MKTTINQVYKHVGEEVTIGAWVANKRSSGKIAFLQLRDGTGFIQGVVVKAEVEESIFQTAKSVTQETSLYIKGIVKEDERSPLGYELAVTDIEVIHEATDYPITPKEHGTEFLMDHRHLWLRSKRQHAIMKIRNEIIRATYEFFNNEGFVKVDPPILTGSAPEGTTELFATKYFDEDAYLSQSGQLYMEAAAMALGKVFSFGPTFRAEKSKTKRHLIEFWMIEPEMAFVEFEENLQVQENYVSFIVQSVLKNCKIELNTLGRDTSKLEQIKAPFPRITYDEAIEFLKEKGFDDIEWGDDFGAPHETAIAEHYDKPVFITRYPTSLKPFYMQPASDREDVVLCADLIAPEGYGEIIGGSERIHDMELLESRLKEHGLDSDAYKWYAELRKYGSVPHSGFGLGLERTVAWISGAPHVRETIPFPRLLNRLYP
Complex: ATP_B_10(1B8A) / Model_25(1B8A/B) = [7.3] Download1607.9911.40MKTTINQVYKHVGEEVTIGAWVANKRSSGKIAFLQLRDGTGFIQGVVVKAEVEESIFQTAKSVTQETSLYIKGIVKEDERSPLGYELAVTDIEVIHEATDYPITPKEHGTEFLMDHRHLWLRSKRQHAIMKIRNEIIRATYEFFNNEGFVKVDPPILTGSAPEGTTELFATKYFDEDAYLSQSGQLYMEAAAMALGKVFSFGPTFRAEKSKTKRHLIEFWMIEPEMAFVEFEENLQVQENYVSFIVQSVLKNCKIELNTLGRDTSKLEQIKAPFPRITYDEAIEFLKEKGFDDIEWGDDFGAPHETAIAEHYDKPVFITRYPTSLKPFYMQPASDREDVVLCADLIAPEGYGEIIGGSERIHDMELLESRLKEHGLDSDAYKWYAELRKYGSVPHSGFGLGLERTVAWISGAPHVRETIPFPRLLNRLYP
Complex: NSS_A_4(2XGT) / Model_11(2XGT/A) = [7.5] Download953.5816.82MKTTINQVYKHVGEEVTIGAWVANKRSSGKIAFLQLRDGTGFIQGVVVKAEVEESIFQTAKSVTQETSLYIKGIVKEDERSPLGYELAVTDIEVIHEATDYPITPKEHGTEFLMDHRHLWLRSKRQHAIMKIRNEIIRATYEFFNNEGFVKVDPPILTGSAPEGTTELFATKYFDEDAYLSQSGQLYMEAAAMALGKVFSFGPTFRAEKSKTKRHLIEFWMIEPEMAFVEFEENLQVQENYVSFIVQSVLKNCKIELNTLGRDTSKLEQIKAPFPRITYDEAIEFLKEKGFDDIEWGDDFGAPHETAIAEHYDKPVFITRYPTSLKPFYMQPASDREDVVLCADLIAPEGYGEIIGGSERIHDMELLESRLKEHGLDSDAYKWYAELRKYGSVPHSGFGLGLERTVAWISGAPHVRETIPFPRLLNRLYP
Consensus
[pKd Mean = 6.70]
-1250
(s=304)
11
(s=3)
MKTTINQVYKHVGEEVTIGAWVANKRSSGKIAFLQLRDGTGFIQGVVVKAEVEESIFQTAKSVTQETSLYIKGIVKEDERSPLGYELAVTDIEVIHEATDYPITPKEHGTEFLMDHRHLWLRSKRQHAIMKIRNEIIRATYEFFNNEGFVKVDPPILTGSAPEGTTELFATKYFDEDAYLSQSGQLYMEAAAMALGKVFSFGPTFRAEKSKTKRHLIEFWMIEPEMAFVEFEENLQVQENYVSFIVQSVLKNCKIELNTLGRDTSKLEQIKAPFPRITYDEAIEFLKEKGFDDIEWGDDFGAPHETAIAEHYDKPVFITRYPTSLKPFYMQPASDREDVVLCADLIAPEGYGEIIGGSERIHDMELLESRLKEHGLDSDAYKWYAELRKYGSVPHSGFGLGLERTVAWISGAPHVRETIPFPRLLNRLYP