Study : Lmo1907 (atomeDB@cbs.cnrs.fr)


Main Binding Site Prediction:


Binding Site Prediction

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Binding Site Number :C2_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 C2_S1
Complex: NAD_E_5(1P9L) / Model_2(1P9L/A) = [10.4] Download1630.4815.53MRVAVSGFKGRMGHEVVKTVLREADLELVAVLDHEPKEKNINEMVEFSSLDVPVFGNLSEMLEEIKPDCVVDFTTPKVGYSNTKTILEHGVRAVVGTTGFTPEQISELRTIAESKKIGALIAPNFAVGAVLMMQFAQKAAKYFPNVEIIELHHDNKLDAPSGTGVKTAEMMAETREFVKQGAADEVELIEGARGAEYEGMRIHSVRLPGLVAHQEVIFGAEGQGLTIRHDSYDRISFMSGVALSVRKTKELETLIYGLENILD
Complex: NDP_G_7(1C3V) / Model_22(1C3V/B) = [10.5] Download1773.2113.21MRVAVSGFKGRMGHEVVKTVLREADLELVAVLDHEPKEKNINEMVEFSSLDVPVFGNLSEMLEEIKPDCVVDFTTPKVGYSNTKTILEHGVRAVVGTTGFTPEQISELRTIAESKKIGALIAPNFAVGAVLMMQFAQKAAKYFPNVEIIELHHDNKLDAPSGTGVKTAEMMAETREFVKQGAADEVELIEGARGAEYEGMRIHSVRLPGLVAHQEVIFGAEGQGLTIRHDSYDRISFMSGVALSVRKTKELETLIYGLENILD
Complex: NAD_E_5(1P9L) / Model_103(1P9L/A) = [10.5] Download1546.7315.03MRVAVSGFKGRMGHEVVKTVLREADLELVAVLDHEPKEKNINEMVEFSSLDVPVFGNLSEMLEEIKPDCVVDFTTPKVGYSNTKTILEHGVRAVVGTTGFTPEQISELRTIAESKKIGALIAPNFAVGAVLMMQFAQKAAKYFPNVEIIELHHDNKLDAPSGTGVKTAEMMAETREFVKQGAADEVELIEGARGAEYEGMRIHSVRLPGLVAHQEVIFGAEGQGLTIRHDSYDRISFMSGVALSVRKTKELETLIYGLENILD
Complex: NDP_E_5(1C3V) / Model_1(1C3V/A) = [11.0] Download1742.1815.60MRVAVSGFKGRMGHEVVKTVLREADLELVAVLDHEPKEKNINEMVEFSSLDVPVFGNLSEMLEEIKPDCVVDFTTPKVGYSNTKTILEHGVRAVVGTTGFTPEQISELRTIAESKKIGALIAPNFAVGAVLMMQFAQKAAKYFPNVEIIELHHDNKLDAPSGTGVKTAEMMAETREFVKQGAADEVELIEGARGAEYEGMRIHSVRLPGLVAHQEVIFGAEGQGLTIRHDSYDRISFMSGVALSVRKTKELETLIYGLENILD
Complex: NAD_I_9(1P9L) / Model_21(1P9L/B) = [11.1] Download1788.4314.45MRVAVSGFKGRMGHEVVKTVLREADLELVAVLDHEPKEKNINEMVEFSSLDVPVFGNLSEMLEEIKPDCVVDFTTPKVGYSNTKTILEHGVRAVVGTTGFTPEQISELRTIAESKKIGALIAPNFAVGAVLMMQFAQKAAKYFPNVEIIELHHDNKLDAPSGTGVKTAEMMAETREFVKQGAADEVELIEGARGAEYEGMRIHSVRLPGLVAHQEVIFGAEGQGLTIRHDSYDRISFMSGVALSVRKTKELETLIYGLENILD
Consensus
[pKd Mean = 10.70]
-1696
(s=92)
14
(s=1)
MRVAVSGFKGRMGHEVVKTVLREADLELVAVLDHEPKEKNINEMVEFSSLDVPVFGNLSEMLEEIKPDCVVDFTTPKVGYSNTKTILEHGVRAVVGTTGFTPEQISELRTIAESKKIGALIAPNFAVGAVLMMQFAQKAAKYFPNVEIIELHHDNKLDAPSGTGVKTAEMMAETREFVKQGAADEVELIEGARGAEYEGMRIHSVRLPGLVAHQEVIFGAEGQGLTIRHDSYDRISFMSGVALSVRKTKELETLIYGLENILD