Study : PA0009 (atomeDB@cbs.cnrs.fr)


Main Binding Site Prediction:


Binding Site Prediction

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Binding Site Number :C6_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 C6_S1
Complex: LMR_A_3(3RF1) / Model_1(3RF1/A) = [3.1] Download834.0412.20MSQTTPAVRTFQDLILALQNYWAEQGCVVLQPYDMEVGAGTFHTATFLRAIGPETWNAAYVQPSRRPTDGRYGENPNRLQHYYQFQVVLKPNPENFQELYLGSLKAIGIDPLVHDIRFVEDNWESPTLGAWGLGWEIWLNGMEVTQFTYFQQVGGIECYPVTGEITYGLERLAMYLQGVDSVYDLVWTDGPFGKVTYGDVFHQNEVEQSTFNFEHANVPKLFELFDFYESEANRLIALELPLPTYEMVLKASHTFNLLDARRAISVTERQRYILRVRTLARAVAQSYLQARARLGFPMATPELRDEVLAKLKEAE
Complex: LMR_A_3(3RF1) / Model_7(3RF1/A) = [3.1] Download788.9312.20MSQTTPAVRTFQDLILALQNYWAEQGCVVLQPYDMEVGAGTFHTATFLRAIGPETWNAAYVQPSRRPTDGRYGENPNRLQHYYQFQVVLKPNPENFQELYLGSLKAIGIDPLVHDIRFVEDNWESPTLGAWGLGWEIWLNGMEVTQFTYFQQVGGIECYPVTGEITYGLERLAMYLQGVDSVYDLVWTDGPFGKVTYGDVFHQNEVEQSTFNFEHANVPKLFELFDFYESEANRLIALELPLPTYEMVLKASHTFNLLDARRAISVTERQRYILRVRTLARAVAQSYLQARARLGFPMATPELRDEVLAKLKEAE
Complex: ATP_A_4(3RGL) / Model_2(3RGL/A) = [4.5] Download1513.0910.86MSQTTPAVRTFQDLILALQNYWAEQGCVVLQPYDMEVGAGTFHTATFLRAIGPETWNAAYVQPSRRPTDGRYGENPNRLQHYYQFQVVLKPNPENFQELYLGSLKAIGIDPLVHDIRFVEDNWESPTLGAWGLGWEIWLNGMEVTQFTYFQQVGGIECYPVTGEITYGLERLAMYLQGVDSVYDLVWTDGPFGKVTYGDVFHQNEVEQSTFNFEHANVPKLFELFDFYESEANRLIALELPLPTYEMVLKASHTFNLLDARRAISVTERQRYILRVRTLARAVAQSYLQARARLGFPMATPELRDEVLAKLKEAE
Complex: ATP_A_4(3UFG) / Model_3(3UFG/A) = [7.0] Download1180.5024.00MSQTTPAVRTFQDLILALQNYWAEQGCVVLQPYDMEVGAGTFHTATFLRAIGPETWNAAYVQPSRRPTDGRYGENPNRLQHYYQFQVVLKPNPENFQELYLGSLKAIGIDPLVHDIRFVEDNWESPTLGAWGLGWEIWLNGMEVTQFTYFQQVGGIECYPVTGEITYGLERLAMYLQGVDSVYDLVWTDGPFGKVTYGDVFHQNEVEQSTFNFEHANVPKLFELFDFYESEANRLIALELPLPTYEMVLKASHTFNLLDARRAISVTERQRYILRVRTLARAVAQSYLQARARLGFPMATPELRDEVLAKLKEAE
Consensus
[pKd Mean = 4.42]
-1079
(s=292)
14
(s=5)
MSQTTPAVRTFQDLILALQNYWAEQGCVVLQPYDMEVGAGTFHTATFLRAIGPETWNAAYVQPSRRPTDGRYGENPNRLQHYYQFQVVLKPNPENFQELYLGSLKAIGIDPLVHDIRFVEDNWESPTLGAWGLGWEIWLNGMEVTQFTYFQQVGGIECYPVTGEITYGLERLAMYLQGVDSVYDLVWTDGPFGKVTYGDVFHQNEVEQSTFNFEHANVPKLFELFDFYESEANRLIALELPLPTYEMVLKASHTFNLLDARRAISVTERQRYILRVRTLARAVAQSYLQARARLGFPMATPELRDEVLAKLKEAE