Study : Lmo1363 (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] : 5 (5 maxi)

Complexes [Theoretical pKd]FileVolume (A3)
(FPocket)
Hydrophobicity
Score(FPocket)
Contacts Ligand/Receptor [<4A] in Site C1_S1
Complex: DST_B_9(1RQI) / Model_37(1RQI/B) = [3.1] Download561.5312.72LQDLTLFLEQYKKVIDESLFKEINERNIEPRLKESMLYSIQAGGKRIRPMLVFATLQALKVNPLLGVKTATALEMIHTYSLIHDDLPAMDNDDYRRGKWTNHKVFGDATAILAGDALLTLAFSILAEDDNLSFETRIALINQISFSSGAEGMVGGQLADLEAENKQVTLEELSSIHARKTGELLIYAVTSAAKIAEADPEQTKRLRIFAENIGIGFQISDDILDVIGDETKMGKKTGADAFLNKSTYPGLLTLDGAKRALNEHVTIAKSALSGHDFDDEILLKLADLIALREN
Complex: IPE_B_13(3PDE) / Model_25(3PDE/B) = [3.2] Download796.6517.43LQDLTLFLEQYKKVIDESLFKEINERNIEPRLKESMLYSIQAGGKRIRPMLVFATLQALKVNPLLGVKTATALEMIHTYSLIHDDLPAMDNDDYRRGKWTNHKVFGDATAILAGDALLTLAFSILAEDDNLSFETRIALINQISFSSGAEGMVGGQLADLEAENKQVTLEELSSIHARKTGELLIYAVTSAAKIAEADPEQTKRLRIFAENIGIGFQISDDILDVIGDETKMGKKTGADAFLNKSTYPGLLTLDGAKRALNEHVTIAKSALSGHDFDDEILLKLADLIALREN
Complex: IPE_A_3(4LFE) / Model_2(4LFE/A) = [3.2] Download648.4411.27LQDLTLFLEQYKKVIDESLFKEINERNIEPRLKESMLYSIQAGGKRIRPMLVFATLQALKVNPLLGVKTATALEMIHTYSLIHDDLPAMDNDDYRRGKWTNHKVFGDATAILAGDALLTLAFSILAEDDNLSFETRIALINQISFSSGAEGMVGGQLADLEAENKQVTLEELSSIHARKTGELLIYAVTSAAKIAEADPEQTKRLRIFAENIGIGFQISDDILDVIGDETKMGKKTGADAFLNKSTYPGLLTLDGAKRALNEHVTIAKSALSGHDFDDEILLKLADLIALREN
Complex: IPE_A_6(3PDE) / Model_103(3PDE/A) = [3.3] Download974.1616.50LQDLTLFLEQYKKVIDESLFKEINERNIEPRLKESMLYSIQAGGKRIRPMLVFATLQALKVNPLLGVKTATALEMIHTYSLIHDDLPAMDNDDYRRGKWTNHKVFGDATAILAGDALLTLAFSILAEDDNLSFETRIALINQISFSSGAEGMVGGQLADLEAENKQVTLEELSSIHARKTGELLIYAVTSAAKIAEADPEQTKRLRIFAENIGIGFQISDDILDVIGDETKMGKKTGADAFLNKSTYPGLLTLDGAKRALNEHVTIAKSALSGHDFDDEILLKLADLIALREN
Complex: IPE_A_6(3PDE) / Model_6(3PDE/A) = [3.3] Download892.8316.50LQDLTLFLEQYKKVIDESLFKEINERNIEPRLKESMLYSIQAGGKRIRPMLVFATLQALKVNPLLGVKTATALEMIHTYSLIHDDLPAMDNDDYRRGKWTNHKVFGDATAILAGDALLTLAFSILAEDDNLSFETRIALINQISFSSGAEGMVGGQLADLEAENKQVTLEELSSIHARKTGELLIYAVTSAAKIAEADPEQTKRLRIFAENIGIGFQISDDILDVIGDETKMGKKTGADAFLNKSTYPGLLTLDGAKRALNEHVTIAKSALSGHDFDDEILLKLADLIALREN
Consensus
[pKd Mean = 3.22]
-774
(s=152)
14
(s=2)
LQDLTLFLEQYKKVIDESLFKEINERNIEPRLKESMLYSIQAGGKRIRPMLVFATLQALKVNPLLGVKTATALEMIHTYSLIHDDLPAMDNDDYRRGKWTNHKVFGDATAILAGDALLTLAFSILAEDDNLSFETRIALINQISFSSGAEGMVGGQLADLEAENKQVTLEELSSIHARKTGELLIYAVTSAAKIAEADPEQTKRLRIFAENIGIGFQISDDILDVIGDETKMGKKTGADAFLNKSTYPGLLTLDGAKRALNEHVTIAKSALSGHDFDDEILLKLADLIALREN