Study : Wbm0107 (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: SAH_A_5(1M6Y) / Model_3(1M6Y/A) = [7.0] Download644.9913.76MAHIPVLLKEMLLQLSPQNGGIYVDATFGAGGYSKAILESADCKVYAIDRDKTVIKFYEDLNIKYPSRVKLFIEKFSNIRSILDSNSLEYLVEPSAVSKLSSIISSGIQKKNIWISASSTGVTPSNTVDGVVFDIGVSSMQLDDGDRGFSFLHDGPLDMRMDNSSHTNASTFVNALREEEIANTIYNYGGERHSRRIARAIVNARKKKTIKTTFELANIVRSVVFRGKSKIDPATRTFQAIRIWVNDELGELEKGIKAASEILNKNGKLIVVTFHSLEDRIVKTFFKSLCEPRSIDCKVFSLLNKKMIKASAEEVNANPRSRSAKLRAIQRLS
Complex: SAH_A_5(1M6Y) / Model_22(1M6Y/A) = [7.0] Download657.6413.76MAHIPVLLKEMLLQLSPQNGGIYVDATFGAGGYSKAILESADCKVYAIDRDKTVIKFYEDLNIKYPSRVKLFIEKFSNIRSILDSNSLEYLVEPSAVSKLSSIISSGIQKKNIWISASSTGVTPSNTVDGVVFDIGVSSMQLDDGDRGFSFLHDGPLDMRMDNSSHTNASTFVNALREEEIANTIYNYGGERHSRRIARAIVNARKKKTIKTTFELANIVRSVVFRGKSKIDPATRTFQAIRIWVNDELGELEKGIKAASEILNKNGKLIVVTFHSLEDRIVKTFFKSLCEPRSIDCKVFSLLNKKMIKASAEEVNANPRSRSAKLRAIQRLS
Complex: SAM_A_5(1N2X) / Model_4(1N2X/A) = [8.3] Download660.1716.78MAHIPVLLKEMLLQLSPQNGGIYVDATFGAGGYSKAILESADCKVYAIDRDKTVIKFYEDLNIKYPSRVKLFIEKFSNIRSILDSNSLEYLVEPSAVSKLSSIISSGIQKKNIWISASSTGVTPSNTVDGVVFDIGVSSMQLDDGDRGFSFLHDGPLDMRMDNSSHTNASTFVNALREEEIANTIYNYGGERHSRRIARAIVNARKKKTIKTTFELANIVRSVVFRGKSKIDPATRTFQAIRIWVNDELGELEKGIKAASEILNKNGKLIVVTFHSLEDRIVKTFFKSLCEPRSIDCKVFSLLNKKMIKASAEEVNANPRSRSAKLRAIQRLS
Complex: SAM_A_2(3TKA) / Model_21(3TKA/A) = [9.6] Download733.7014.21MAHIPVLLKEMLLQLSPQNGGIYVDATFGAGGYSKAILESADCKVYAIDRDKTVIKFYEDLNIKYPSRVKLFIEKFSNIRSILDSNSLEYLVEPSAVSKLSSIISSGIQKKNIWISASSTGVTPSNTVDGVVFDIGVSSMQLDDGDRGFSFLHDGPLDMRMDNSSHTNASTFVNALREEEIANTIYNYGGERHSRRIARAIVNARKKKTIKTTFELANIVRSVVFRGKSKIDPATRTFQAIRIWVNDELGELEKGIKAASEILNKNGKLIVVTFHSLEDRIVKTFFKSLCEPRSIDCKVFSLLNKKMIKASAEEVNANPRSRSAKLRAIQRLS
Complex: SAM_A_2(3TKA) / Model_2(3TKA/A) = [9.6] Download791.6714.21MAHIPVLLKEMLLQLSPQNGGIYVDATFGAGGYSKAILESADCKVYAIDRDKTVIKFYEDLNIKYPSRVKLFIEKFSNIRSILDSNSLEYLVEPSAVSKLSSIISSGIQKKNIWISASSTGVTPSNTVDGVVFDIGVSSMQLDDGDRGFSFLHDGPLDMRMDNSSHTNASTFVNALREEEIANTIYNYGGERHSRRIARAIVNARKKKTIKTTFELANIVRSVVFRGKSKIDPATRTFQAIRIWVNDELGELEKGIKAASEILNKNGKLIVVTFHSLEDRIVKTFFKSLCEPRSIDCKVFSLLNKKMIKASAEEVNANPRSRSAKLRAIQRLS
Consensus
[pKd Mean = 8.30]		-697
(s=56)		14
(s=1)		MAHIPVLLKEMLLQLSPQNGGIYVDATFGAGGYSKAILESADCKVYAIDRDKTVIKFYEDLNIKYPSRVKLFIEKFSNIRSILDSNSLEYLVEPSAVSKLSSIISSGIQKKNIWISASSTGVTPSNTVDGVVFDIGVSSMQLDDGDRGFSFLHDGPLDMRMDNSSHTNASTFVNALREEEIANTIYNYGGERHSRRIARAIVNARKKKTIKTTFELANIVRSVVFRGKSKIDPATRTFQAIRIWVNDELGELEKGIKAASEILNKNGKLIVVTFHSLEDRIVKTFFKSLCEPRSIDCKVFSLLNKKMIKASAEEVNANPRSRSAKLRAIQRLS