Study : Lmo0355 (atomeDB@cbs.cnrs.fr)


Main Binding Site Prediction:


Binding Site Prediction

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Binding Site Number :C4_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 C4_S1
Complex: FAD_A_7(1QO8) / Model_79(1QO8/A) = [12.0] Download340.3220.50MKKRLATTIIMLLSLALIIAGCGNNDTSKSDTAKTKEKEKTEVTSGASKTSYTDPSELKDKYDIVIVGAGGAGMSAALEAKAKGMNPVILEKMPLAGGNTMKASSGMNASETKFQKEEGINDSNDKFYEETLKGGHGTNDKAMLRFFVDNSASAIDWLDSMDIKLNNLTITGGMSEKRTHRPEDGSAVGKYLVDGLLKNVQEQKIPVFVNADVKEITQKDGKVTGVRVKLNNKDEKTISSDAVVVTTGGYGANKDMIEKERPDLKGYVTTNQEGSTGDGIKMIEKLGGTTVDMDQIQVHPTVQQDKSYLIGEAVRGEGAILVSQEGKRFGNELDTRDNVTASINKLPEKSAYLVFDSGVKDRVKAIAQYEEMGFVEEGKTIDELAGKINVPKEELTKTLDTWNASVKNKKDEAFGRTTAMDNDLSKAPYYAIKIGPGIHYTMGGVKINTNTEVLDKDGKPITGLFAAGEVTGGLHGENRIGGNSVAEIIIFGRQAGDKSAEFVKAQ
Complex: FAD_A_7(1QO8) / Model_1(1QO8/A) = [12.0] Download469.4220.50MKKRLATTIIMLLSLALIIAGCGNNDTSKSDTAKTKEKEKTEVTSGASKTSYTDPSELKDKYDIVIVGAGGAGMSAALEAKAKGMNPVILEKMPLAGGNTMKASSGMNASETKFQKEEGINDSNDKFYEETLKGGHGTNDKAMLRFFVDNSASAIDWLDSMDIKLNNLTITGGMSEKRTHRPEDGSAVGKYLVDGLLKNVQEQKIPVFVNADVKEITQKDGKVTGVRVKLNNKDEKTISSDAVVVTTGGYGANKDMIEKERPDLKGYVTTNQEGSTGDGIKMIEKLGGTTVDMDQIQVHPTVQQDKSYLIGEAVRGEGAILVSQEGKRFGNELDTRDNVTASINKLPEKSAYLVFDSGVKDRVKAIAQYEEMGFVEEGKTIDELAGKINVPKEELTKTLDTWNASVKNKKDEAFGRTTAMDNDLSKAPYYAIKIGPGIHYTMGGVKINTNTEVLDKDGKPITGLFAAGEVTGGLHGENRIGGNSVAEIIIFGRQAGDKSAEFVKAQ
Complex: FAD_D_12(1QO8) / Model_21(1QO8/D) = [12.2] Download335.3621.46MKKRLATTIIMLLSLALIIAGCGNNDTSKSDTAKTKEKEKTEVTSGASKTSYTDPSELKDKYDIVIVGAGGAGMSAALEAKAKGMNPVILEKMPLAGGNTMKASSGMNASETKFQKEEGINDSNDKFYEETLKGGHGTNDKAMLRFFVDNSASAIDWLDSMDIKLNNLTITGGMSEKRTHRPEDGSAVGKYLVDGLLKNVQEQKIPVFVNADVKEITQKDGKVTGVRVKLNNKDEKTISSDAVVVTTGGYGANKDMIEKERPDLKGYVTTNQEGSTGDGIKMIEKLGGTTVDMDQIQVHPTVQQDKSYLIGEAVRGEGAILVSQEGKRFGNELDTRDNVTASINKLPEKSAYLVFDSGVKDRVKAIAQYEEMGFVEEGKTIDELAGKINVPKEELTKTLDTWNASVKNKKDEAFGRTTAMDNDLSKAPYYAIKIGPGIHYTMGGVKINTNTEVLDKDGKPITGLFAAGEVTGGLHGENRIGGNSVAEIIIFGRQAGDKSAEFVKAQ
Complex: FAD_A_7(1P2E) / Model_5(1P2E/A) = [12.2] Download702.8915.02MKKRLATTIIMLLSLALIIAGCGNNDTSKSDTAKTKEKEKTEVTSGASKTSYTDPSELKDKYDIVIVGAGGAGMSAALEAKAKGMNPVILEKMPLAGGNTMKASSGMNASETKFQKEEGINDSNDKFYEETLKGGHGTNDKAMLRFFVDNSASAIDWLDSMDIKLNNLTITGGMSEKRTHRPEDGSAVGKYLVDGLLKNVQEQKIPVFVNADVKEITQKDGKVTGVRVKLNNKDEKTISSDAVVVTTGGYGANKDMIEKERPDLKGYVTTNQEGSTGDGIKMIEKLGGTTVDMDQIQVHPTVQQDKSYLIGEAVRGEGAILVSQEGKRFGNELDTRDNVTASINKLPEKSAYLVFDSGVKDRVKAIAQYEEMGFVEEGKTIDELAGKINVPKEELTKTLDTWNASVKNKKDEAFGRTTAMDNDLSKAPYYAIKIGPGIHYTMGGVKINTNTEVLDKDGKPITGLFAAGEVTGGLHGENRIGGNSVAEIIIFGRQAGDKSAEFVKAQ
Complex: FAD_B_14(1JRY) / Model_26(1JRY/B) = [12.5] Download544.5317.84MKKRLATTIIMLLSLALIIAGCGNNDTSKSDTAKTKEKEKTEVTSGASKTSYTDPSELKDKYDIVIVGAGGAGMSAALEAKAKGMNPVILEKMPLAGGNTMKASSGMNASETKFQKEEGINDSNDKFYEETLKGGHGTNDKAMLRFFVDNSASAIDWLDSMDIKLNNLTITGGMSEKRTHRPEDGSAVGKYLVDGLLKNVQEQKIPVFVNADVKEITQKDGKVTGVRVKLNNKDEKTISSDAVVVTTGGYGANKDMIEKERPDLKGYVTTNQEGSTGDGIKMIEKLGGTTVDMDQIQVHPTVQQDKSYLIGEAVRGEGAILVSQEGKRFGNELDTRDNVTASINKLPEKSAYLVFDSGVKDRVKAIAQYEEMGFVEEGKTIDELAGKINVPKEELTKTLDTWNASVKNKKDEAFGRTTAMDNDLSKAPYYAIKIGPGIHYTMGGVKINTNTEVLDKDGKPITGLFAAGEVTGGLHGENRIGGNSVAEIIIFGRQAGDKSAEFVKAQ
Consensus
[pKd Mean = 12.18]
-478
(s=137)
19
(s=2)
MKKRLATTIIMLLSLALIIAGCGNNDTSKSDTAKTKEKEKTEVTSGASKTSYTDPSELKDKYDIVIVGAGGAGMSAALEAKAKGMNPVILEKMPLAGGNTMKASSGMNASETKFQKEEGINDSNDKFYEETLKGGHGTNDKAMLRFFVDNSASAIDWLDSMDIKLNNLTITGGMSEKRTHRPEDGSAVGKYLVDGLLKNVQEQKIPVFVNADVKEITQKDGKVTGVRVKLNNKDEKTISSDAVVVTTGGYGANKDMIEKERPDLKGYVTTNQEGSTGDGIKMIEKLGGTTVDMDQIQVHPTVQQDKSYLIGEAVRGEGAILVSQEGKRFGNELDTRDNVTASINKLPEKSAYLVFDSGVKDRVKAIAQYEEMGFVEEGKTIDELAGKINVPKEELTKTLDTWNASVKNKKDEAFGRTTAMDNDLSKAPYYAIKIGPGIHYTMGGVKINTNTEVLDKDGKPITGLFAAGEVTGGLHGENRIGGNSVAEIIIFGRQAGDKSAEFVKAQ