Study : bsu10800 (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] : 3 (5 maxi)

Complexes [Theoretical pKd]FileVolume (A3)
(FPocket)
Hydrophobicity
Score(FPocket)
Contacts Ligand/Receptor [<4A] in Site C4_S1
Complex: CIT_A_5(2QE9) / Model_1(2QE9/A) = [3.9] Download731.5724.36MMKFFEYNWQVRDQWFTWCHQLTTEELLKNRLGGVENILYTLFHIIDVEYSWIRAIQGKEDIAVQFADYQTLNKVKSLSNTFRTEIIDVLQTHSDQIKDELVSVPWETGVLYTRDEILHHIIAHEIHHIGQLSVWARELKLSPVSASFIGRTLKPIHSY
Complex: CIT_A_5(2QE9) / Model_40(2QE9/A) = [3.9] Download965.8024.36MMKFFEYNWQVRDQWFTWCHQLTTEELLKNRLGGVENILYTLFHIIDVEYSWIRAIQGKEDIAVQFADYQTLNKVKSLSNTFRTEIIDVLQTHSDQIKDELVSVPWETGVLYTRDEILHHIIAHEIHHIGQLSVWARELKLSPVSASFIGRTLKPIHSY
Complex: CIT_B_6(2QE9) / Model_21(2QE9/B) = [4.0] Download965.7324.36MMKFFEYNWQVRDQWFTWCHQLTTEELLKNRLGGVENILYTLFHIIDVEYSWIRAIQGKEDIAVQFADYQTLNKVKSLSNTFRTEIIDVLQTHSDQIKDELVSVPWETGVLYTRDEILHHIIAHEIHHIGQLSVWARELKLSPVSASFIGRTLKPIHSY
Consensus
[pKd Mean = 3.93]
-887
(s=110)
24
(s=0)
MMKFFEYNWQVRDQWFTWCHQLTTEELLKNRLGGVENILYTLFHIIDVEYSWIRAIQGKEDIAVQFADYQTLNKVKSLSNTFRTEIIDVLQTHSDQIKDELVSVPWETGVLYTRDEILHHIIAHEIHHIGQLSVWARELKLSPVSASFIGRTLKPIHSY