Study : bsu39370 (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] : 3 (5 maxi)

Complexes [Theoretical pKd]FileVolume (A3)
(FPocket)
Hydrophobicity
Score(FPocket)
Contacts Ligand/Receptor [<4A] in Site C2_S1
Complex: IZC_B_6(2G3F) / Model_21(2G3F/B) = [3.1] Download221.57-6.43MPKQIDTILINIGQLLTMESSGPRAGKSMQDLHVIEDAVVGIHEQKIVFAGQKGAEAGYEADEIIDCSGRLVTPGLVDPHTHLVFGGSREKEMNLKLQGISYLDILAQGGGILSTVKDTRAASEEELLQKAHFHLQRMLSYGTTTAEVKSGYGLEKETELKQLRVAKKLHESQPVDLVSTFMGAHAIPPEYQNDPDDFLDQMLSLLPEIKEQELASFADIFTETGVFTVSQSRRYLQKAAEAGFGLKIHADEIDPLGGAELAGKLKAVSADHLVGTSDEGIKKLAEAGTIAVLLPGTTFYLGKSTYARARAMIDEGVCVSLATDFNPGSSPTENIQLIMSIAALHLKMTAEEIWHAVTVNAAYAIGKGEEAGQLKAGRSADLVIWQAPNYMYIPYHYGVNHVHQVMKNGTIVVNREGAILG
Complex: IZC_A_5(2G3F) / Model_158(2G3F/A) = [3.1] Download204.92-0.06MPKQIDTILINIGQLLTMESSGPRAGKSMQDLHVIEDAVVGIHEQKIVFAGQKGAEAGYEADEIIDCSGRLVTPGLVDPHTHLVFGGSREKEMNLKLQGISYLDILAQGGGILSTVKDTRAASEEELLQKAHFHLQRMLSYGTTTAEVKSGYGLEKETELKQLRVAKKLHESQPVDLVSTFMGAHAIPPEYQNDPDDFLDQMLSLLPEIKEQELASFADIFTETGVFTVSQSRRYLQKAAEAGFGLKIHADEIDPLGGAELAGKLKAVSADHLVGTSDEGIKKLAEAGTIAVLLPGTTFYLGKSTYARARAMIDEGVCVSLATDFNPGSSPTENIQLIMSIAALHLKMTAEEIWHAVTVNAAYAIGKGEEAGQLKAGRSADLVIWQAPNYMYIPYHYGVNHVHQVMKNGTIVVNREGAILG
Complex: DI6_A_3(2Q09) / Model_138(2Q09/A) = [3.7] Download483.021.88MPKQIDTILINIGQLLTMESSGPRAGKSMQDLHVIEDAVVGIHEQKIVFAGQKGAEAGYEADEIIDCSGRLVTPGLVDPHTHLVFGGSREKEMNLKLQGISYLDILAQGGGILSTVKDTRAASEEELLQKAHFHLQRMLSYGTTTAEVKSGYGLEKETELKQLRVAKKLHESQPVDLVSTFMGAHAIPPEYQNDPDDFLDQMLSLLPEIKEQELASFADIFTETGVFTVSQSRRYLQKAAEAGFGLKIHADEIDPLGGAELAGKLKAVSADHLVGTSDEGIKKLAEAGTIAVLLPGTTFYLGKSTYARARAMIDEGVCVSLATDFNPGSSPTENIQLIMSIAALHLKMTAEEIWHAVTVNAAYAIGKGEEAGQLKAGRSADLVIWQAPNYMYIPYHYGVNHVHQVMKNGTIVVNREGAILG
Consensus
[pKd Mean = 3.30]
-303
(s=127)
-1
(s=3)
MPKQIDTILINIGQLLTMESSGPRAGKSMQDLHVIEDAVVGIHEQKIVFAGQKGAEAGYEADEIIDCSGRLVTPGLVDPHTHLVFGGSREKEMNLKLQGISYLDILAQGGGILSTVKDTRAASEEELLQKAHFHLQRMLSYGTTTAEVKSGYGLEKETELKQLRVAKKLHESQPVDLVSTFMGAHAIPPEYQNDPDDFLDQMLSLLPEIKEQELASFADIFTETGVFTVSQSRRYLQKAAEAGFGLKIHADEIDPLGGAELAGKLKAVSADHLVGTSDEGIKKLAEAGTIAVLLPGTTFYLGKSTYARARAMIDEGVCVSLATDFNPGSSPTENIQLIMSIAALHLKMTAEEIWHAVTVNAAYAIGKGEEAGQLKAGRSADLVIWQAPNYMYIPYHYGVNHVHQVMKNGTIVVNREGAILG