Study : Lmo2349 (atomeDB@cbs.cnrs.fr)


Main Binding Site Prediction:


Binding Site Prediction

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Binding Site Number :C3_S1
Best Complexes choosen after comparative docking [pKd > 3] : 2 (5 maxi)

Complexes [Theoretical pKd]FileVolume (A3)
(FPocket)
Hydrophobicity
Score(FPocket)
Contacts Ligand/Receptor [<4A] in Site C3_S1
Complex: HIS_B_7(4GVO) / Model_21(4GVO/B) = [4.7] Download725.3733.15MKKKYGILALALTAALTLSACGGKEEPEAANQKVQTITVGTGTQFPNVCFLDENGKLTGYDVELVKEIDKRLPGYKFKFKTMDFSNLLVSLGAGKVDIVAHQMEKSKEREKKFLFNDVAYNNFPLQLTVLDSNNSINSTKDLAGKRVITSATSNGALVLKKINEEQGNNFEIAYEGQGSNDTANQLKTGRADATISTPFAVDFQNKTSAIKEKVVGDVLSNAKVYFMLGKDETKLSKKVDEALQSIIDDGTLKKLSEKWLGADYSKEQY
Complex: HIS_A_5(4GVO) / Model_1(4GVO/A) = [4.8] Download739.4727.44MKKKYGILALALTAALTLSACGGKEEPEAANQKVQTITVGTGTQFPNVCFLDENGKLTGYDVELVKEIDKRLPGYKFKFKTMDFSNLLVSLGAGKVDIVAHQMEKSKEREKKFLFNDVAYNNFPLQLTVLDSNNSINSTKDLAGKRVITSATSNGALVLKKINEEQGNNFEIAYEGQGSNDTANQLKTGRADATISTPFAVDFQNKTSAIKEKVVGDVLSNAKVYFMLGKDETKLSKKVDEALQSIIDDGTLKKLSEKWLGADYSKEQY
Consensus
[pKd Mean = 4.75]
-732
(s=7)
30
(s=2)
MKKKYGILALALTAALTLSACGGKEEPEAANQKVQTITVGTGTQFPNVCFLDENGKLTGYDVELVKEIDKRLPGYKFKFKTMDFSNLLVSLGAGKVDIVAHQMEKSKEREKKFLFNDVAYNNFPLQLTVLDSNNSINSTKDLAGKRVITSATSNGALVLKKINEEQGNNFEIAYEGQGSNDTANQLKTGRADATISTPFAVDFQNKTSAIKEKVVGDVLSNAKVYFMLGKDETKLSKKVDEALQSIIDDGTLKKLSEKWLGADYSKEQY