Study : PA2889 (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: FAO_A_4(3P4T) / Model_119(3P4T/A) = [6.7] Download1757.5618.47MIFTQEHEELRRTVRSFVEREINPNVDQWEKDGRFPIHEIFRKAGELGLLGISKPEKFGGMGLDYSYSIVAAEEFGSITCGGIPMAIGVQTDMCTPALARFGSDELREEFLRPAIAGEMVGCIGVSEVGAGSDVAGLKTTARKDGDDYVINGSKMWITNSPSADFMCLLANTSDDKPHVNKSLIVVPMKTPGITLSPHLDKLGMRSSETAQVFFDNVRVPQRNRIGAEGAGFMMQMLQFQEERLFGAANMIKGLEHCIDVTIEYCKERRTFGQPLIDNQVIHFRMAEMMTEVEALRALVYQATELYVKGRDVTRLASMAKLKAGRLGREVSDACLQYWGGMGFMWDNPVSRAYRDTRLVSIGGGADEIMLGIICKLMGILPGKKKG
Complex: FAO_A_4(3P4T) / Model_5(3P4T/A) = [6.7] Download1761.5721.80MIFTQEHEELRRTVRSFVEREINPNVDQWEKDGRFPIHEIFRKAGELGLLGISKPEKFGGMGLDYSYSIVAAEEFGSITCGGIPMAIGVQTDMCTPALARFGSDELREEFLRPAIAGEMVGCIGVSEVGAGSDVAGLKTTARKDGDDYVINGSKMWITNSPSADFMCLLANTSDDKPHVNKSLIVVPMKTPGITLSPHLDKLGMRSSETAQVFFDNVRVPQRNRIGAEGAGFMMQMLQFQEERLFGAANMIKGLEHCIDVTIEYCKERRTFGQPLIDNQVIHFRMAEMMTEVEALRALVYQATELYVKGRDVTRLASMAKLKAGRLGREVSDACLQYWGGMGFMWDNPVSRAYRDTRLVSIGGGADEIMLGIICKLMGILPGKKKG
Complex: FAO_B_5(3P4T) / Model_26(3P4T/B) = [6.9] Download1831.1224.32MIFTQEHEELRRTVRSFVEREINPNVDQWEKDGRFPIHEIFRKAGELGLLGISKPEKFGGMGLDYSYSIVAAEEFGSITCGGIPMAIGVQTDMCTPALARFGSDELREEFLRPAIAGEMVGCIGVSEVGAGSDVAGLKTTARKDGDDYVINGSKMWITNSPSADFMCLLANTSDDKPHVNKSLIVVPMKTPGITLSPHLDKLGMRSSETAQVFFDNVRVPQRNRIGAEGAGFMMQMLQFQEERLFGAANMIKGLEHCIDVTIEYCKERRTFGQPLIDNQVIHFRMAEMMTEVEALRALVYQATELYVKGRDVTRLASMAKLKAGRLGREVSDACLQYWGGMGFMWDNPVSRAYRDTRLVSIGGGADEIMLGIICKLMGILPGKKKG
Complex: FDA_A_20(3OIB) / Model_4(3OIB/A) = [7.3] Download1775.1423.41MIFTQEHEELRRTVRSFVEREINPNVDQWEKDGRFPIHEIFRKAGELGLLGISKPEKFGGMGLDYSYSIVAAEEFGSITCGGIPMAIGVQTDMCTPALARFGSDELREEFLRPAIAGEMVGCIGVSEVGAGSDVAGLKTTARKDGDDYVINGSKMWITNSPSADFMCLLANTSDDKPHVNKSLIVVPMKTPGITLSPHLDKLGMRSSETAQVFFDNVRVPQRNRIGAEGAGFMMQMLQFQEERLFGAANMIKGLEHCIDVTIEYCKERRTFGQPLIDNQVIHFRMAEMMTEVEALRALVYQATELYVKGRDVTRLASMAKLKAGRLGREVSDACLQYWGGMGFMWDNPVSRAYRDTRLVSIGGGADEIMLGIICKLMGILPGKKKG
Complex: FAD_I_9(1JQI) / Model_3(1JQI/A) = [8.7] Download848.4524.69MIFTQEHEELRRTVRSFVEREINPNVDQWEKDGRFPIHEIFRKAGELGLLGISKPEKFGGMGLDYSYSIVAAEEFGSITCGGIPMAIGVQTDMCTPALARFGSDELREEFLRPAIAGEMVGCIGVSEVGAGSDVAGLKTTARKDGDDYVINGSKMWITNSPSADFMCLLANTSDDKPHVNKSLIVVPMKTPGITLSPHLDKLGMRSSETAQVFFDNVRVPQRNRIGAEGAGFMMQMLQFQEERLFGAANMIKGLEHCIDVTIEYCKERRTFGQPLIDNQVIHFRMAEMMTEVEALRALVYQATELYVKGRDVTRLASMAKLKAGRLGREVSDACLQYWGGMGFMWDNPVSRAYRDTRLVSIGGGADEIMLGIICKLMGILPGKKKG
Consensus
[pKd Mean = 7.26]
-1594
(s=374)
22
(s=2)
MIFTQEHEELRRTVRSFVEREINPNVDQWEKDGRFPIHEIFRKAGELGLLGISKPEKFGGMGLDYSYSIVAAEEFGSITCGGIPMAIGVQTDMCTPALARFGSDELREEFLRPAIAGEMVGCIGVSEVGAGSDVAGLKTTARKDGDDYVINGSKMWITNSPSADFMCLLANTSDDKPHVNKSLIVVPMKTPGITLSPHLDKLGMRSSETAQVFFDNVRVPQRNRIGAEGAGFMMQMLQFQEERLFGAANMIKGLEHCIDVTIEYCKERRTFGQPLIDNQVIHFRMAEMMTEVEALRALVYQATELYVKGRDVTRLASMAKLKAGRLGREVSDACLQYWGGMGFMWDNPVSRAYRDTRLVSIGGGADEIMLGIICKLMGILPGKKKG