Study : bsu09300 (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: 13P_A_16(2R4E) / Model_8(2R4E/A) = [3.5] Download420.5010.50MMNHQFSSLERDRMLTDMTKKTYDLFIIGGGITGAGTALDAASRGMKVALSEMQDFAAGTSSRSTKLVHGGLRYLKQFEVKMVAEVGKERAIVYENGPHVTTPEWMLLPFHKGGTFGSFTTSIGLRVYDFLAGVKKSERRSMLSAKETLQKEPLVKKDGLKGGGYYVEYRTDDARLTIEVMKEAVKFGAEPVNYSKVKELLYEKGKAVGVLIEDVLTKKEYKVYAKKIVNATGPWVDQLREKDHSKNGKHLQHTKGIHLVFDQSVFPLKQAVYFDTPDGRMVFAIPREGKTYVGTTDTVYKEALEHPRMTTEDRDYVIKSINYMFPELNITANDIESSWAGLRPLIHEEGKDPSEISRKDEIWTSDSGLITIAGGKLTGYRKMAEHIVDLVRDRLKEEGEKDFGPCKTKNMPISGGHVGGSKNLMSFVTAKTKEGIAAGLSEKDAKQLAIRYGSNVDRVFDRVEALKDEAAKRNIPVHILAEAEYSIEEEMTATPADFFVRRTGRLFFDINWVRTYKDAVIDFMSERFQWDEQAKNKHTENLNKLLHDAVVPLEQ
Complex: FAD_A_2(3DA1) / Model_81(3DA1/A) = [9.2] Download574.3426.83MMNHQFSSLERDRMLTDMTKKTYDLFIIGGGITGAGTALDAASRGMKVALSEMQDFAAGTSSRSTKLVHGGLRYLKQFEVKMVAEVGKERAIVYENGPHVTTPEWMLLPFHKGGTFGSFTTSIGLRVYDFLAGVKKSERRSMLSAKETLQKEPLVKKDGLKGGGYYVEYRTDDARLTIEVMKEAVKFGAEPVNYSKVKELLYEKGKAVGVLIEDVLTKKEYKVYAKKIVNATGPWVDQLREKDHSKNGKHLQHTKGIHLVFDQSVFPLKQAVYFDTPDGRMVFAIPREGKTYVGTTDTVYKEALEHPRMTTEDRDYVIKSINYMFPELNITANDIESSWAGLRPLIHEEGKDPSEISRKDEIWTSDSGLITIAGGKLTGYRKMAEHIVDLVRDRLKEEGEKDFGPCKTKNMPISGGHVGGSKNLMSFVTAKTKEGIAAGLSEKDAKQLAIRYGSNVDRVFDRVEALKDEAAKRNIPVHILAEAEYSIEEEMTATPADFFVRRTGRLFFDINWVRTYKDAVIDFMSERFQWDEQAKNKHTENLNKLLHDAVVPLEQ
Complex: FAD_A_2(3DA1) / Model_1(3DA1/A) = [9.2] Download572.3626.83MMNHQFSSLERDRMLTDMTKKTYDLFIIGGGITGAGTALDAASRGMKVALSEMQDFAAGTSSRSTKLVHGGLRYLKQFEVKMVAEVGKERAIVYENGPHVTTPEWMLLPFHKGGTFGSFTTSIGLRVYDFLAGVKKSERRSMLSAKETLQKEPLVKKDGLKGGGYYVEYRTDDARLTIEVMKEAVKFGAEPVNYSKVKELLYEKGKAVGVLIEDVLTKKEYKVYAKKIVNATGPWVDQLREKDHSKNGKHLQHTKGIHLVFDQSVFPLKQAVYFDTPDGRMVFAIPREGKTYVGTTDTVYKEALEHPRMTTEDRDYVIKSINYMFPELNITANDIESSWAGLRPLIHEEGKDPSEISRKDEIWTSDSGLITIAGGKLTGYRKMAEHIVDLVRDRLKEEGEKDFGPCKTKNMPISGGHVGGSKNLMSFVTAKTKEGIAAGLSEKDAKQLAIRYGSNVDRVFDRVEALKDEAAKRNIPVHILAEAEYSIEEEMTATPADFFVRRTGRLFFDINWVRTYKDAVIDFMSERFQWDEQAKNKHTENLNKLLHDAVVPLEQ
Complex: FAD_A_14(2R4E) / Model_8(2R4E/A) = [11.3] Download841.7028.93MMNHQFSSLERDRMLTDMTKKTYDLFIIGGGITGAGTALDAASRGMKVALSEMQDFAAGTSSRSTKLVHGGLRYLKQFEVKMVAEVGKERAIVYENGPHVTTPEWMLLPFHKGGTFGSFTTSIGLRVYDFLAGVKKSERRSMLSAKETLQKEPLVKKDGLKGGGYYVEYRTDDARLTIEVMKEAVKFGAEPVNYSKVKELLYEKGKAVGVLIEDVLTKKEYKVYAKKIVNATGPWVDQLREKDHSKNGKHLQHTKGIHLVFDQSVFPLKQAVYFDTPDGRMVFAIPREGKTYVGTTDTVYKEALEHPRMTTEDRDYVIKSINYMFPELNITANDIESSWAGLRPLIHEEGKDPSEISRKDEIWTSDSGLITIAGGKLTGYRKMAEHIVDLVRDRLKEEGEKDFGPCKTKNMPISGGHVGGSKNLMSFVTAKTKEGIAAGLSEKDAKQLAIRYGSNVDRVFDRVEALKDEAAKRNIPVHILAEAEYSIEEEMTATPADFFVRRTGRLFFDINWVRTYKDAVIDFMSERFQWDEQAKNKHTENLNKLLHDAVVPLEQ
Complex: FAD_A_18(2R45) / Model_6(2R45/A) = [11.4] Download700.7628.93MMNHQFSSLERDRMLTDMTKKTYDLFIIGGGITGAGTALDAASRGMKVALSEMQDFAAGTSSRSTKLVHGGLRYLKQFEVKMVAEVGKERAIVYENGPHVTTPEWMLLPFHKGGTFGSFTTSIGLRVYDFLAGVKKSERRSMLSAKETLQKEPLVKKDGLKGGGYYVEYRTDDARLTIEVMKEAVKFGAEPVNYSKVKELLYEKGKAVGVLIEDVLTKKEYKVYAKKIVNATGPWVDQLREKDHSKNGKHLQHTKGIHLVFDQSVFPLKQAVYFDTPDGRMVFAIPREGKTYVGTTDTVYKEALEHPRMTTEDRDYVIKSINYMFPELNITANDIESSWAGLRPLIHEEGKDPSEISRKDEIWTSDSGLITIAGGKLTGYRKMAEHIVDLVRDRLKEEGEKDFGPCKTKNMPISGGHVGGSKNLMSFVTAKTKEGIAAGLSEKDAKQLAIRYGSNVDRVFDRVEALKDEAAKRNIPVHILAEAEYSIEEEMTATPADFFVRRTGRLFFDINWVRTYKDAVIDFMSERFQWDEQAKNKHTENLNKLLHDAVVPLEQ
Consensus
[pKd Mean = 8.92]
-621
(s=141)
24
(s=7)
MMNHQFSSLERDRMLTDMTKKTYDLFIIGGGITGAGTALDAASRGMKVALSEMQDFAAGTSSRSTKLVHGGLRYLKQFEVKMVAEVGKERAIVYENGPHVTTPEWMLLPFHKGGTFGSFTTSIGLRVYDFLAGVKKSERRSMLSAKETLQKEPLVKKDGLKGGGYYVEYRTDDARLTIEVMKEAVKFGAEPVNYSKVKELLYEKGKAVGVLIEDVLTKKEYKVYAKKIVNATGPWVDQLREKDHSKNGKHLQHTKGIHLVFDQSVFPLKQAVYFDTPDGRMVFAIPREGKTYVGTTDTVYKEALEHPRMTTEDRDYVIKSINYMFPELNITANDIESSWAGLRPLIHEEGKDPSEISRKDEIWTSDSGLITIAGGKLTGYRKMAEHIVDLVRDRLKEEGEKDFGPCKTKNMPISGGHVGGSKNLMSFVTAKTKEGIAAGLSEKDAKQLAIRYGSNVDRVFDRVEALKDEAAKRNIPVHILAEAEYSIEEEMTATPADFFVRRTGRLFFDINWVRTYKDAVIDFMSERFQWDEQAKNKHTENLNKLLHDAVVPLEQ