Study : SA1599 (atomeDB@cbs.cnrs.fr)


Main Binding Site Prediction:


Binding Site Prediction

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Binding Site Number :C6_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 C6_S1
Complex: I22_D_9(3S1X) / Model_41(3S1X/D) = [3.1] Download673.226.62MAKLNVEVFADGADIEEMKAAYKNKQVDGFTTNPSLMAKAGVTDYKAFAEEAVKEIPDASISFEVFADDLETMEKEAAILKQYGENVFVKIPIVNTKGESTIPLIKKLSADNVRLNVTAVYTIEQVKEITEAVTEGVPTYVSVFAGRIADTGVDPLPLMKEAVKVTHSKDGVKLLWASCRELFNVIQADEIGADIITRPADVVKKVNTNLGRDINELSVDTVKGFAKDIQSSGLSIL
Complex: E4P_E_11(3S1U) / Model_48(3S1U/E) = [3.2] Download391.093.33MAKLNVEVFADGADIEEMKAAYKNKQVDGFTTNPSLMAKAGVTDYKAFAEEAVKEIPDASISFEVFADDLETMEKEAAILKQYGENVFVKIPIVNTKGESTIPLIKKLSADNVRLNVTAVYTIEQVKEITEAVTEGVPTYVSVFAGRIADTGVDPLPLMKEAVKVTHSKDGVKLLWASCRELFNVIQADEIGADIITRPADVVKKVNTNLGRDINELSVDTVKGFAKDIQSSGLSIL
Complex: EDO_A_4(3CLM) / Model_117(3CLM/A) = [3.3] Download350.3011.00MAKLNVEVFADGADIEEMKAAYKNKQVDGFTTNPSLMAKAGVTDYKAFAEEAVKEIPDASISFEVFADDLETMEKEAAILKQYGENVFVKIPIVNTKGESTIPLIKKLSADNVRLNVTAVYTIEQVKEITEAVTEGVPTYVSVFAGRIADTGVDPLPLMKEAVKVTHSKDGVKLLWASCRELFNVIQADEIGADIITRPADVVKKVNTNLGRDINELSVDTVKGFAKDIQSSGLSIL
Complex: E4P_D_10(3S1U) / Model_49(3S1U/D) = [3.3] Download597.744.33MAKLNVEVFADGADIEEMKAAYKNKQVDGFTTNPSLMAKAGVTDYKAFAEEAVKEIPDASISFEVFADDLETMEKEAAILKQYGENVFVKIPIVNTKGESTIPLIKKLSADNVRLNVTAVYTIEQVKEITEAVTEGVPTYVSVFAGRIADTGVDPLPLMKEAVKVTHSKDGVKLLWASCRELFNVIQADEIGADIITRPADVVKKVNTNLGRDINELSVDTVKGFAKDIQSSGLSIL
Complex: F6R_C_11(3S1V) / Model_46(3S1V/C) = [3.4] Download422.908.37MAKLNVEVFADGADIEEMKAAYKNKQVDGFTTNPSLMAKAGVTDYKAFAEEAVKEIPDASISFEVFADDLETMEKEAAILKQYGENVFVKIPIVNTKGESTIPLIKKLSADNVRLNVTAVYTIEQVKEITEAVTEGVPTYVSVFAGRIADTGVDPLPLMKEAVKVTHSKDGVKLLWASCRELFNVIQADEIGADIITRPADVVKKVNTNLGRDINELSVDTVKGFAKDIQSSGLSIL
Consensus
[pKd Mean = 3.26]
-487
(s=125)
6
(s=2)
MAKLNVEVFADGADIEEMKAAYKNKQVDGFTTNPSLMAKAGVTDYKAFAEEAVKEIPDASISFEVFADDLETMEKEAAILKQYGENVFVKIPIVNTKGESTIPLIKKLSADNVRLNVTAVYTIEQVKEITEAVTEGVPTYVSVFAGRIADTGVDPLPLMKEAVKVTHSKDGVKLLWASCRELFNVIQADEIGADIITRPADVVKKVNTNLGRDINELSVDTVKGFAKDIQSSGLSIL