Study : SAP011 (atomeDB@cbs.cnrs.fr)


Main Binding Site Prediction:


Binding Site Prediction

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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: GOL_A_6(2IWB) / Model_7(2IWB/A) = [3.3] Download503.2822.21MAKLLIMSVVSFCFIFLLLVFFRYILKRYFNYSLNYKVWYLTMLAGLIPFIPIKFSFIKFNNVNNQAPTVESKSHDLNHNINTTKPIQEFTTDIHKFNWDSIDNICTVIWIVLVIILSFKFLKALLYLKYLKKQSLYLNENEKNKIDTILFNHQYKKNIVIRKAEAIQSPITFWYGKYIILIPSSYFKSVIDKRLKYIILHEYAHAKNRDTLHLIIFNIFSIIMSYNPLVHIVKRKIIHDNEVEADRFVLNNINKNEFKTYAESIMDSVLKTPFSNKNILSHSFNGKKSLLKSRLINIKEADLKKQSKLILIFICIFTFFIMIIQSQFLMGQSLTDYNYKKPLQSDYQILDESKNFGSNSGSFVMYSMKKDKYYIYNEKESRKRYSPDSTYKIYLALFGLDRHIISDKNSRMSWNHKHYLFESWNKEQDLNTAMQNSVNWYFERISNQIPKNYTAAQLKQLNYGNENLGSYKSYWMEDSLKISNLEQVIVFKNMMEQNNHFSKKAKNQLSSSLLIKKNEKYELYGKTGTGIVNGKYNNGWFVGYVITNHDKYYFATHLSDGNPSGKNAELISEKILKGMGVLNDQ
Complex: GOL_A_6(2IWB) / Model_30(2IWB/A) = [3.3] Download487.8922.21MAKLLIMSVVSFCFIFLLLVFFRYILKRYFNYSLNYKVWYLTMLAGLIPFIPIKFSFIKFNNVNNQAPTVESKSHDLNHNINTTKPIQEFTTDIHKFNWDSIDNICTVIWIVLVIILSFKFLKALLYLKYLKKQSLYLNENEKNKIDTILFNHQYKKNIVIRKAEAIQSPITFWYGKYIILIPSSYFKSVIDKRLKYIILHEYAHAKNRDTLHLIIFNIFSIIMSYNPLVHIVKRKIIHDNEVEADRFVLNNINKNEFKTYAESIMDSVLKTPFSNKNILSHSFNGKKSLLKSRLINIKEADLKKQSKLILIFICIFTFFIMIIQSQFLMGQSLTDYNYKKPLQSDYQILDESKNFGSNSGSFVMYSMKKDKYYIYNEKESRKRYSPDSTYKIYLALFGLDRHIISDKNSRMSWNHKHYLFESWNKEQDLNTAMQNSVNWYFERISNQIPKNYTAAQLKQLNYGNENLGSYKSYWMEDSLKISNLEQVIVFKNMMEQNNHFSKKAKNQLSSSLLIKKNEKYELYGKTGTGIVNGKYNNGWFVGYVITNHDKYYFATHLSDGNPSGKNAELISEKILKGMGVLNDQ
Complex: CAZ_A_7(1XKZ) / Model_29(1XKZ/A) = [3.5] Download1181.2124.68MAKLLIMSVVSFCFIFLLLVFFRYILKRYFNYSLNYKVWYLTMLAGLIPFIPIKFSFIKFNNVNNQAPTVESKSHDLNHNINTTKPIQEFTTDIHKFNWDSIDNICTVIWIVLVIILSFKFLKALLYLKYLKKQSLYLNENEKNKIDTILFNHQYKKNIVIRKAEAIQSPITFWYGKYIILIPSSYFKSVIDKRLKYIILHEYAHAKNRDTLHLIIFNIFSIIMSYNPLVHIVKRKIIHDNEVEADRFVLNNINKNEFKTYAESIMDSVLKTPFSNKNILSHSFNGKKSLLKSRLINIKEADLKKQSKLILIFICIFTFFIMIIQSQFLMGQSLTDYNYKKPLQSDYQILDESKNFGSNSGSFVMYSMKKDKYYIYNEKESRKRYSPDSTYKIYLALFGLDRHIISDKNSRMSWNHKHYLFESWNKEQDLNTAMQNSVNWYFERISNQIPKNYTAAQLKQLNYGNENLGSYKSYWMEDSLKISNLEQVIVFKNMMEQNNHFSKKAKNQLSSSLLIKKNEKYELYGKTGTGIVNGKYNNGWFVGYVITNHDKYYFATHLSDGNPSGKNAELISEKILKGMGVLNDQ
Complex: CAZ_A_7(1XKZ) / Model_1(1XKZ/A) = [3.5] Download1181.2124.68MAKLLIMSVVSFCFIFLLLVFFRYILKRYFNYSLNYKVWYLTMLAGLIPFIPIKFSFIKFNNVNNQAPTVESKSHDLNHNINTTKPIQEFTTDIHKFNWDSIDNICTVIWIVLVIILSFKFLKALLYLKYLKKQSLYLNENEKNKIDTILFNHQYKKNIVIRKAEAIQSPITFWYGKYIILIPSSYFKSVIDKRLKYIILHEYAHAKNRDTLHLIIFNIFSIIMSYNPLVHIVKRKIIHDNEVEADRFVLNNINKNEFKTYAESIMDSVLKTPFSNKNILSHSFNGKKSLLKSRLINIKEADLKKQSKLILIFICIFTFFIMIIQSQFLMGQSLTDYNYKKPLQSDYQILDESKNFGSNSGSFVMYSMKKDKYYIYNEKESRKRYSPDSTYKIYLALFGLDRHIISDKNSRMSWNHKHYLFESWNKEQDLNTAMQNSVNWYFERISNQIPKNYTAAQLKQLNYGNENLGSYKSYWMEDSLKISNLEQVIVFKNMMEQNNHFSKKAKNQLSSSLLIKKNEKYELYGKTGTGIVNGKYNNGWFVGYVITNHDKYYFATHLSDGNPSGKNAELISEKILKGMGVLNDQ
Complex: KOL_A_3(3Q82) / Model_4(3Q82/A) = [3.6] Download1100.6114.95MAKLLIMSVVSFCFIFLLLVFFRYILKRYFNYSLNYKVWYLTMLAGLIPFIPIKFSFIKFNNVNNQAPTVESKSHDLNHNINTTKPIQEFTTDIHKFNWDSIDNICTVIWIVLVIILSFKFLKALLYLKYLKKQSLYLNENEKNKIDTILFNHQYKKNIVIRKAEAIQSPITFWYGKYIILIPSSYFKSVIDKRLKYIILHEYAHAKNRDTLHLIIFNIFSIIMSYNPLVHIVKRKIIHDNEVEADRFVLNNINKNEFKTYAESIMDSVLKTPFSNKNILSHSFNGKKSLLKSRLINIKEADLKKQSKLILIFICIFTFFIMIIQSQFLMGQSLTDYNYKKPLQSDYQILDESKNFGSNSGSFVMYSMKKDKYYIYNEKESRKRYSPDSTYKIYLALFGLDRHIISDKNSRMSWNHKHYLFESWNKEQDLNTAMQNSVNWYFERISNQIPKNYTAAQLKQLNYGNENLGSYKSYWMEDSLKISNLEQVIVFKNMMEQNNHFSKKAKNQLSSSLLIKKNEKYELYGKTGTGIVNGKYNNGWFVGYVITNHDKYYFATHLSDGNPSGKNAELISEKILKGMGVLNDQ
Consensus
[pKd Mean = 3.44]
-890
(s=324)
21
(s=3)
MAKLLIMSVVSFCFIFLLLVFFRYILKRYFNYSLNYKVWYLTMLAGLIPFIPIKFSFIKFNNVNNQAPTVESKSHDLNHNINTTKPIQEFTTDIHKFNWDSIDNICTVIWIVLVIILSFKFLKALLYLKYLKKQSLYLNENEKNKIDTILFNHQYKKNIVIRKAEAIQSPITFWYGKYIILIPSSYFKSVIDKRLKYIILHEYAHAKNRDTLHLIIFNIFSIIMSYNPLVHIVKRKIIHDNEVEADRFVLNNINKNEFKTYAESIMDSVLKTPFSNKNILSHSFNGKKSLLKSRLINIKEADLKKQSKLILIFICIFTFFIMIIQSQFLMGQSLTDYNYKKPLQSDYQILDESKNFGSNSGSFVMYSMKKDKYYIYNEKESRKRYSPDSTYKIYLALFGLDRHIISDKNSRMSWNHKHYLFESWNKEQDLNTAMQNSVNWYFERISNQIPKNYTAAQLKQLNYGNENLGSYKSYWMEDSLKISNLEQVIVFKNMMEQNNHFSKKAKNQLSSSLLIKKNEKYELYGKTGTGIVNGKYNNGWFVGYVITNHDKYYFATHLSDGNPSGKNAELISEKILKGMGVLNDQ