Study : PA2382 (atomeDB@cbs.cnrs.fr)


Main Binding Site Prediction:


Binding Site Prediction

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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: EDO_B_6(2ZFA) / Model_58(2ZFA/B) = [3.5] Download220.9230.75MSVITDIEDLRRLARKRVPRMFYDYADSGSWSEGTYRANQDDFAAIKLRQRVARNIENRSLRTRMLGQEMAMPVAIAPTGLAGMQHADGEILAARAAAEFGVRYTLSTMSICSLEDIATEVGQPFWFQLYVMRDRDFIERLIDRAKAAGCDALVLTLDLQIIGQRHKDLKNGLSAPPRPTLANLLNIATKPRWALGMLGTRRRGFGNIVGHVKGVDDMGSLSEWTARQFDPRLNWGDVEWIKRRWGGKLVLKGILDAEDARLAADSGADALVVSNHGGRQLDGAPSTISALPAIVEAVGERIEVWLDSGIRSGQDVLKAIALGARGTMIGRPYLYGLGALGQAGVTRALEIIARELDLTMAFCGHTDIREVGRDILLPGSYPR
Complex: DHP_I_9(1AL8) / Model_3(1AL8/A) = [3.6] Download1203.3152.92MSVITDIEDLRRLARKRVPRMFYDYADSGSWSEGTYRANQDDFAAIKLRQRVARNIENRSLRTRMLGQEMAMPVAIAPTGLAGMQHADGEILAARAAAEFGVRYTLSTMSICSLEDIATEVGQPFWFQLYVMRDRDFIERLIDRAKAAGCDALVLTLDLQIIGQRHKDLKNGLSAPPRPTLANLLNIATKPRWALGMLGTRRRGFGNIVGHVKGVDDMGSLSEWTARQFDPRLNWGDVEWIKRRWGGKLVLKGILDAEDARLAADSGADALVVSNHGGRQLDGAPSTISALPAIVEAVGERIEVWLDSGIRSGQDVLKAIALGARGTMIGRPYLYGLGALGQAGVTRALEIIARELDLTMAFCGHTDIREVGRDILLPGSYPR
Complex: LAC_A_4(2NLI) / Model_57(2NLI/A) = [4.1] Download468.5134.65MSVITDIEDLRRLARKRVPRMFYDYADSGSWSEGTYRANQDDFAAIKLRQRVARNIENRSLRTRMLGQEMAMPVAIAPTGLAGMQHADGEILAARAAAEFGVRYTLSTMSICSLEDIATEVGQPFWFQLYVMRDRDFIERLIDRAKAAGCDALVLTLDLQIIGQRHKDLKNGLSAPPRPTLANLLNIATKPRWALGMLGTRRRGFGNIVGHVKGVDDMGSLSEWTARQFDPRLNWGDVEWIKRRWGGKLVLKGILDAEDARLAADSGADALVVSNHGGRQLDGAPSTISALPAIVEAVGERIEVWLDSGIRSGQDVLKAIALGARGTMIGRPYLYGLGALGQAGVTRALEIIARELDLTMAFCGHTDIREVGRDILLPGSYPR
Complex: LAC_A_4(2NLI) / Model_138(2NLI/A) = [4.2] Download486.8334.65MSVITDIEDLRRLARKRVPRMFYDYADSGSWSEGTYRANQDDFAAIKLRQRVARNIENRSLRTRMLGQEMAMPVAIAPTGLAGMQHADGEILAARAAAEFGVRYTLSTMSICSLEDIATEVGQPFWFQLYVMRDRDFIERLIDRAKAAGCDALVLTLDLQIIGQRHKDLKNGLSAPPRPTLANLLNIATKPRWALGMLGTRRRGFGNIVGHVKGVDDMGSLSEWTARQFDPRLNWGDVEWIKRRWGGKLVLKGILDAEDARLAADSGADALVVSNHGGRQLDGAPSTISALPAIVEAVGERIEVWLDSGIRSGQDVLKAIALGARGTMIGRPYLYGLGALGQAGVTRALEIIARELDLTMAFCGHTDIREVGRDILLPGSYPR
Complex: FMN_G_7(1SZE) / Model_41(1SZE/B) = [8.3] Download641.6621.93MSVITDIEDLRRLARKRVPRMFYDYADSGSWSEGTYRANQDDFAAIKLRQRVARNIENRSLRTRMLGQEMAMPVAIAPTGLAGMQHADGEILAARAAAEFGVRYTLSTMSICSLEDIATEVGQPFWFQLYVMRDRDFIERLIDRAKAAGCDALVLTLDLQIIGQRHKDLKNGLSAPPRPTLANLLNIATKPRWALGMLGTRRRGFGNIVGHVKGVDDMGSLSEWTARQFDPRLNWGDVEWIKRRWGGKLVLKGILDAEDARLAADSGADALVVSNHGGRQLDGAPSTISALPAIVEAVGERIEVWLDSGIRSGQDVLKAIALGARGTMIGRPYLYGLGALGQAGVTRALEIIARELDLTMAFCGHTDIREVGRDILLPGSYPR
Consensus
[pKd Mean = 4.74]
-604
(s=328)
34
(s=10)
MSVITDIEDLRRLARKRVPRMFYDYADSGSWSEGTYRANQDDFAAIKLRQRVARNIENRSLRTRMLGQEMAMPVAIAPTGLAGMQHADGEILAARAAAEFGVRYTLSTMSICSLEDIATEVGQPFWFQLYVMRDRDFIERLIDRAKAAGCDALVLTLDLQIIGQRHKDLKNGLSAPPRPTLANLLNIATKPRWALGMLGTRRRGFGNIVGHVKGVDDMGSLSEWTARQFDPRLNWGDVEWIKRRWGGKLVLKGILDAEDARLAADSGADALVVSNHGGRQLDGAPSTISALPAIVEAVGERIEVWLDSGIRSGQDVLKAIALGARGTMIGRPYLYGLGALGQAGVTRALEIIARELDLTMAFCGHTDIREVGRDILLPGSYPR