Study : PA0291 (atomeDB@cbs.cnrs.fr)


Main Binding Site Prediction:


Binding Site Prediction

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Binding Site Number :C5_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 C5_S1
Complex: C8E_B_23(2QTK) / Model_28(2QTK/B) = [3.3] Download1088.8149.77MKSRKINKSRLALAITAGTLGALAQQAVAAGFIEDSKASLTLRNFYINTDNRNGTASPSKQEEWGQGFILNYQSGFTQGTVGFGVDALGLLGVRLDGGGRAGKSGLDRQPGTVFPLESNGEPVHDFASLGLTAKAKVSNTEFRYGTLQPKLPVVTYNDGRLLPVTFEGGQVTSTDLKDFTLVAGQLEHSKGRNSTDNRSLSIAGANGSSASSRDSNKFYYAGGDYKVNKDLTLQYYYGNLDDFYKQHFLGLIHNWQIGPGVLKTDLRAFDSSSDGKNGSRSGRADGYVSSGYYGSGVTKGEVDNRAFSGLFTYTVSGHSIGAGYQILNGDSDFPFLNRGDGEGSTAYLITDVQIGKFQRAGERTWQVRYGYDFATVGVPGLTFNTIYLSGDKIKTARGDQSEWERDISLAYVIPDGTFKGLGFTWKNASFRSGLPAAGSSNNQRDQDENRLIVSYTLPLL
Complex: C8E_A_16(2Y2X) / Model_16(2Y2X/A) = [3.7] Download548.6316.83MKSRKINKSRLALAITAGTLGALAQQAVAAGFIEDSKASLTLRNFYINTDNRNGTASPSKQEEWGQGFILNYQSGFTQGTVGFGVDALGLLGVRLDGGGRAGKSGLDRQPGTVFPLESNGEPVHDFASLGLTAKAKVSNTEFRYGTLQPKLPVVTYNDGRLLPVTFEGGQVTSTDLKDFTLVAGQLEHSKGRNSTDNRSLSIAGANGSSASSRDSNKFYYAGGDYKVNKDLTLQYYYGNLDDFYKQHFLGLIHNWQIGPGVLKTDLRAFDSSSDGKNGSRSGRADGYVSSGYYGSGVTKGEVDNRAFSGLFTYTVSGHSIGAGYQILNGDSDFPFLNRGDGEGSTAYLITDVQIGKFQRAGERTWQVRYGYDFATVGVPGLTFNTIYLSGDKIKTARGDQSEWERDISLAYVIPDGTFKGLGFTWKNASFRSGLPAAGSSNNQRDQDENRLIVSYTLPLL
Complex: C8E_A_16(3SYS) / Model_17(3SYS/A) = [3.7] Download552.2316.83MKSRKINKSRLALAITAGTLGALAQQAVAAGFIEDSKASLTLRNFYINTDNRNGTASPSKQEEWGQGFILNYQSGFTQGTVGFGVDALGLLGVRLDGGGRAGKSGLDRQPGTVFPLESNGEPVHDFASLGLTAKAKVSNTEFRYGTLQPKLPVVTYNDGRLLPVTFEGGQVTSTDLKDFTLVAGQLEHSKGRNSTDNRSLSIAGANGSSASSRDSNKFYYAGGDYKVNKDLTLQYYYGNLDDFYKQHFLGLIHNWQIGPGVLKTDLRAFDSSSDGKNGSRSGRADGYVSSGYYGSGVTKGEVDNRAFSGLFTYTVSGHSIGAGYQILNGDSDFPFLNRGDGEGSTAYLITDVQIGKFQRAGERTWQVRYGYDFATVGVPGLTFNTIYLSGDKIKTARGDQSEWERDISLAYVIPDGTFKGLGFTWKNASFRSGLPAAGSSNNQRDQDENRLIVSYTLPLL
Consensus
[pKd Mean = 3.57]
-729
(s=253)
27
(s=15)
MKSRKINKSRLALAITAGTLGALAQQAVAAGFIEDSKASLTLRNFYINTDNRNGTASPSKQEEWGQGFILNYQSGFTQGTVGFGVDALGLLGVRLDGGGRAGKSGLDRQPGTVFPLESNGEPVHDFASLGLTAKAKVSNTEFRYGTLQPKLPVVTYNDGRLLPVTFEGGQVTSTDLKDFTLVAGQLEHSKGRNSTDNRSLSIAGANGSSASSRDSNKFYYAGGDYKVNKDLTLQYYYGNLDDFYKQHFLGLIHNWQIGPGVLKTDLRAFDSSSDGKNGSRSGRADGYVSSGYYGSGVTKGEVDNRAFSGLFTYTVSGHSIGAGYQILNGDSDFPFLNRGDGEGSTAYLITDVQIGKFQRAGERTWQVRYGYDFATVGVPGLTFNTIYLSGDKIKTARGDQSEWERDISLAYVIPDGTFKGLGFTWKNASFRSGLPAAGSSNNQRDQDENRLIVSYTLPLL