Study : Wbm0532 (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] : 4 (5 maxi)

Complexes [Theoretical pKd]FileVolume (A3)
(FPocket)
Hydrophobicity
Score(FPocket)
Contacts Ligand/Receptor [<4A] in Site C1_S1
Complex: POP_A_3(3OYR) / Model_84(3OYR/A) = [3.4] Download623.2222.35MLNTGLTNNDILDDIVSSDLSAMKNFIFRDVNNGDVKLAADIISHLVRSGGKKVRPKLVFIICKMLNYSGEDRVKVAASVEFIHNATLLHDDVLDESEARHGVKTANKIWGNKSSILVGDLLLTLAFRWLIECGNLNILSILSGASHSLVNGEIKQMAARFNSHTIRKNYFDIIGKKTASLFSACCEAASVISNATSNETERLKNFGLNFGMAFQIIDDTLDYTADQRTSGKQVGKDFFEGKVTLPAIIAYEKGSPAEQKFWEKCFSLAERNFDQALHYINHHNAIQLSIEKARHYVNMAQNNINTFSDSSYKIALIDFLNASIERQA
Complex: POP_A_3(3OYR) / Model_50(3OYR/A) = [3.4] Download911.1326.62MLNTGLTNNDILDDIVSSDLSAMKNFIFRDVNNGDVKLAADIISHLVRSGGKKVRPKLVFIICKMLNYSGEDRVKVAASVEFIHNATLLHDDVLDESEARHGVKTANKIWGNKSSILVGDLLLTLAFRWLIECGNLNILSILSGASHSLVNGEIKQMAARFNSHTIRKNYFDIIGKKTASLFSACCEAASVISNATSNETERLKNFGLNFGMAFQIIDDTLDYTADQRTSGKQVGKDFFEGKVTLPAIIAYEKGSPAEQKFWEKCFSLAERNFDQALHYINHHNAIQLSIEKARHYVNMAQNNINTFSDSSYKIALIDFLNASIERQA
Complex: IPE_A_3(3WJO) / Model_2(3WJO/A) = [3.5] Download862.662.74MLNTGLTNNDILDDIVSSDLSAMKNFIFRDVNNGDVKLAADIISHLVRSGGKKVRPKLVFIICKMLNYSGEDRVKVAASVEFIHNATLLHDDVLDESEARHGVKTANKIWGNKSSILVGDLLLTLAFRWLIECGNLNILSILSGASHSLVNGEIKQMAARFNSHTIRKNYFDIIGKKTASLFSACCEAASVISNATSNETERLKNFGLNFGMAFQIIDDTLDYTADQRTSGKQVGKDFFEGKVTLPAIIAYEKGSPAEQKFWEKCFSLAERNFDQALHYINHHNAIQLSIEKARHYVNMAQNNINTFSDSSYKIALIDFLNASIERQA
Complex: IPE_B_7(3OYR) / Model_21(3OYR/B) = [3.5] Download577.478.46MLNTGLTNNDILDDIVSSDLSAMKNFIFRDVNNGDVKLAADIISHLVRSGGKKVRPKLVFIICKMLNYSGEDRVKVAASVEFIHNATLLHDDVLDESEARHGVKTANKIWGNKSSILVGDLLLTLAFRWLIECGNLNILSILSGASHSLVNGEIKQMAARFNSHTIRKNYFDIIGKKTASLFSACCEAASVISNATSNETERLKNFGLNFGMAFQIIDDTLDYTADQRTSGKQVGKDFFEGKVTLPAIIAYEKGSPAEQKFWEKCFSLAERNFDQALHYINHHNAIQLSIEKARHYVNMAQNNINTFSDSSYKIALIDFLNASIERQA
Consensus
[pKd Mean = 3.45]
-743
(s=145)
15
(s=9)
MLNTGLTNNDILDDIVSSDLSAMKNFIFRDVNNGDVKLAADIISHLVRSGGKKVRPKLVFIICKMLNYSGEDRVKVAASVEFIHNATLLHDDVLDESEARHGVKTANKIWGNKSSILVGDLLLTLAFRWLIECGNLNILSILSGASHSLVNGEIKQMAARFNSHTIRKNYFDIIGKKTASLFSACCEAASVISNATSNETERLKNFGLNFGMAFQIIDDTLDYTADQRTSGKQVGKDFFEGKVTLPAIIAYEKGSPAEQKFWEKCFSLAERNFDQALHYINHHNAIQLSIEKARHYVNMAQNNINTFSDSSYKIALIDFLNASIERQA