Study : Lmo1231 (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: PPV_A_9(2BCQ) / Model_25(2BCQ/A) = [3.1] Download650.696.95MATNKKEIIRLLEEIATYMELKGENSFKISAFRKAAQAIELDSRSLSEIDDFTKISGIGKTTGEIIQRYLDSGECPELEELKKEVPAGLVPLLDVPGLGGKKLSRLYHELGVVDKDTLLQEAENGHIEALKGFGKKSAEKMAEAVREMGERPDRYPLNDVLPIIQKVEAYLAEIAPIETFAQAGSLRRLRETVKDLDYVIATEKPEDVQKALLAFPLITDVIGAGETKVSAVLEDNITISVDFRLVEKKAFATTLHHFTGSKDHNIKMRQLAKQSNEKISEYGVEQEDGTVRHFESEKTFFEHFKIPFLPPEVRRDGTEIERVTKDTKFLELSDIRGDLHMHTTWSDGAYAIPEMIEACIAKGYEYMVITDHGKFLRVANGLDEKRLLEQQAEIKKIAAKYPEIDVYSGVEMDILADGSLDFDDETLKQLDFVIASIHSSFQQSEEEIMKRLKTACENPYVRLIAHPTGRIVVKRKPYHVNMKELIQLAKSTGTALELNANPQRLDLNREHLEMAHAAGVPIAINTDAHDTKHLDFMSIGVRAATKAWLGKSAILNTKTAAEFKQFLQNK
Complex: DGT_A_2(3B0Y) / Model_4(3B0Y/A) = [5.7] Download1439.82-7.20MATNKKEIIRLLEEIATYMELKGENSFKISAFRKAAQAIELDSRSLSEIDDFTKISGIGKTTGEIIQRYLDSGECPELEELKKEVPAGLVPLLDVPGLGGKKLSRLYHELGVVDKDTLLQEAENGHIEALKGFGKKSAEKMAEAVREMGERPDRYPLNDVLPIIQKVEAYLAEIAPIETFAQAGSLRRLRETVKDLDYVIATEKPEDVQKALLAFPLITDVIGAGETKVSAVLEDNITISVDFRLVEKKAFATTLHHFTGSKDHNIKMRQLAKQSNEKISEYGVEQEDGTVRHFESEKTFFEHFKIPFLPPEVRRDGTEIERVTKDTKFLELSDIRGDLHMHTTWSDGAYAIPEMIEACIAKGYEYMVITDHGKFLRVANGLDEKRLLEQQAEIKKIAAKYPEIDVYSGVEMDILADGSLDFDDETLKQLDFVIASIHSSFQQSEEEIMKRLKTACENPYVRLIAHPTGRIVVKRKPYHVNMKELIQLAKSTGTALELNANPQRLDLNREHLEMAHAAGVPIAINTDAHDTKHLDFMSIGVRAATKAWLGKSAILNTKTAAEFKQFLQNK
Complex: DGT_A_2(3AU2) / Model_1(3AU2/A) = [5.7] Download1211.47-7.20MATNKKEIIRLLEEIATYMELKGENSFKISAFRKAAQAIELDSRSLSEIDDFTKISGIGKTTGEIIQRYLDSGECPELEELKKEVPAGLVPLLDVPGLGGKKLSRLYHELGVVDKDTLLQEAENGHIEALKGFGKKSAEKMAEAVREMGERPDRYPLNDVLPIIQKVEAYLAEIAPIETFAQAGSLRRLRETVKDLDYVIATEKPEDVQKALLAFPLITDVIGAGETKVSAVLEDNITISVDFRLVEKKAFATTLHHFTGSKDHNIKMRQLAKQSNEKISEYGVEQEDGTVRHFESEKTFFEHFKIPFLPPEVRRDGTEIERVTKDTKFLELSDIRGDLHMHTTWSDGAYAIPEMIEACIAKGYEYMVITDHGKFLRVANGLDEKRLLEQQAEIKKIAAKYPEIDVYSGVEMDILADGSLDFDDETLKQLDFVIASIHSSFQQSEEEIMKRLKTACENPYVRLIAHPTGRIVVKRKPYHVNMKELIQLAKSTGTALELNANPQRLDLNREHLEMAHAAGVPIAINTDAHDTKHLDFMSIGVRAATKAWLGKSAILNTKTAAEFKQFLQNK
Complex: DGT_A_9(3B0X) / Model_23(3B0X/A) = [6.8] Download1605.10-7.82MATNKKEIIRLLEEIATYMELKGENSFKISAFRKAAQAIELDSRSLSEIDDFTKISGIGKTTGEIIQRYLDSGECPELEELKKEVPAGLVPLLDVPGLGGKKLSRLYHELGVVDKDTLLQEAENGHIEALKGFGKKSAEKMAEAVREMGERPDRYPLNDVLPIIQKVEAYLAEIAPIETFAQAGSLRRLRETVKDLDYVIATEKPEDVQKALLAFPLITDVIGAGETKVSAVLEDNITISVDFRLVEKKAFATTLHHFTGSKDHNIKMRQLAKQSNEKISEYGVEQEDGTVRHFESEKTFFEHFKIPFLPPEVRRDGTEIERVTKDTKFLELSDIRGDLHMHTTWSDGAYAIPEMIEACIAKGYEYMVITDHGKFLRVANGLDEKRLLEQQAEIKKIAAKYPEIDVYSGVEMDILADGSLDFDDETLKQLDFVIASIHSSFQQSEEEIMKRLKTACENPYVRLIAHPTGRIVVKRKPYHVNMKELIQLAKSTGTALELNANPQRLDLNREHLEMAHAAGVPIAINTDAHDTKHLDFMSIGVRAATKAWLGKSAILNTKTAAEFKQFLQNK
Complex: DGT_A_9(3B0X) / Model_3(3B0X/A) = [6.8] Download1407.58-7.82MATNKKEIIRLLEEIATYMELKGENSFKISAFRKAAQAIELDSRSLSEIDDFTKISGIGKTTGEIIQRYLDSGECPELEELKKEVPAGLVPLLDVPGLGGKKLSRLYHELGVVDKDTLLQEAENGHIEALKGFGKKSAEKMAEAVREMGERPDRYPLNDVLPIIQKVEAYLAEIAPIETFAQAGSLRRLRETVKDLDYVIATEKPEDVQKALLAFPLITDVIGAGETKVSAVLEDNITISVDFRLVEKKAFATTLHHFTGSKDHNIKMRQLAKQSNEKISEYGVEQEDGTVRHFESEKTFFEHFKIPFLPPEVRRDGTEIERVTKDTKFLELSDIRGDLHMHTTWSDGAYAIPEMIEACIAKGYEYMVITDHGKFLRVANGLDEKRLLEQQAEIKKIAAKYPEIDVYSGVEMDILADGSLDFDDETLKQLDFVIASIHSSFQQSEEEIMKRLKTACENPYVRLIAHPTGRIVVKRKPYHVNMKELIQLAKSTGTALELNANPQRLDLNREHLEMAHAAGVPIAINTDAHDTKHLDFMSIGVRAATKAWLGKSAILNTKTAAEFKQFLQNK
Consensus
[pKd Mean = 5.62]
-1262
(s=330)
-4
(s=5)
MATNKKEIIRLLEEIATYMELKGENSFKISAFRKAAQAIELDSRSLSEIDDFTKISGIGKTTGEIIQRYLDSGECPELEELKKEVPAGLVPLLDVPGLGGKKLSRLYHELGVVDKDTLLQEAENGHIEALKGFGKKSAEKMAEAVREMGERPDRYPLNDVLPIIQKVEAYLAEIAPIETFAQAGSLRRLRETVKDLDYVIATEKPEDVQKALLAFPLITDVIGAGETKVSAVLEDNITISVDFRLVEKKAFATTLHHFTGSKDHNIKMRQLAKQSNEKISEYGVEQEDGTVRHFESEKTFFEHFKIPFLPPEVRRDGTEIERVTKDTKFLELSDIRGDLHMHTTWSDGAYAIPEMIEACIAKGYEYMVITDHGKFLRVANGLDEKRLLEQQAEIKKIAAKYPEIDVYSGVEMDILADGSLDFDDETLKQLDFVIASIHSSFQQSEEEIMKRLKTACENPYVRLIAHPTGRIVVKRKPYHVNMKELIQLAKSTGTALELNANPQRLDLNREHLEMAHAAGVPIAINTDAHDTKHLDFMSIGVRAATKAWLGKSAILNTKTAAEFKQFLQNK