Study : PA4444 (atomeDB@cbs.cnrs.fr)


Main Binding Site Prediction:


Binding Site Prediction

Download fasta file
Download text file


Binding Site Number :C3_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 C3_S1
Complex: SUGAR_A_3(1D0K) / Model_5(1D0K/A) = [3.2] Download--MRRTALALPLFLLVSACSSEPTPPPKPAAKPQARTVISPRPVRQSVQPILPLRGDYANNPAAQHFIDRMVSQHGFNRQQLHDLFAQTQRLDWVIRLMDRQAPTYTPPSGPNGAWLRYRKKFVTPGNVQNGVLFWDQYETDLQRASRVYGVPPEIIVGIIGVETRWGRVMGKTRIIDALSTLSFSYPRRAEFFSGELEQFLLQARKEGTDPLALRGSYAGAMGYGQFMPSSFTKYAVDFDGDGHIDLWNPRDAIGSVANYFKQHGWVSGDRVAVPASGRAPSLEDGFKTLYPLDVLASAGLRPQGPLGGHRQASLLRLDMGRNYQYWYGLPNFYVITRYNHSTHYAMAVWELGKEVDRVRHRSVVRQD
Complex: NAG_A_2(1QUT) / Model_2(1QUT/A) = [3.4] Download990.8319.61MRRTALALPLFLLVSACSSEPTPPPKPAAKPQARTVISPRPVRQSVQPILPLRGDYANNPAAQHFIDRMVSQHGFNRQQLHDLFAQTQRLDWVIRLMDRQAPTYTPPSGPNGAWLRYRKKFVTPGNVQNGVLFWDQYETDLQRASRVYGVPPEIIVGIIGVETRWGRVMGKTRIIDALSTLSFSYPRRAEFFSGELEQFLLQARKEGTDPLALRGSYAGAMGYGQFMPSSFTKYAVDFDGDGHIDLWNPRDAIGSVANYFKQHGWVSGDRVAVPASGRAPSLEDGFKTLYPLDVLASAGLRPQGPLGGHRQASLLRLDMGRNYQYWYGLPNFYVITRYNHSTHYAMAVWELGKEVDRVRHRSVVRQD
Complex: DGL_A_6(1D0K) / Model_5(1D0K/A) = [3.7] Download719.6022.29MRRTALALPLFLLVSACSSEPTPPPKPAAKPQARTVISPRPVRQSVQPILPLRGDYANNPAAQHFIDRMVSQHGFNRQQLHDLFAQTQRLDWVIRLMDRQAPTYTPPSGPNGAWLRYRKKFVTPGNVQNGVLFWDQYETDLQRASRVYGVPPEIIVGIIGVETRWGRVMGKTRIIDALSTLSFSYPRRAEFFSGELEQFLLQARKEGTDPLALRGSYAGAMGYGQFMPSSFTKYAVDFDGDGHIDLWNPRDAIGSVANYFKQHGWVSGDRVAVPASGRAPSLEDGFKTLYPLDVLASAGLRPQGPLGGHRQASLLRLDMGRNYQYWYGLPNFYVITRYNHSTHYAMAVWELGKEVDRVRHRSVVRQD
Complex: SUGAR_A_2(1D0K) / Model_5(1D0K/A) = [5.2] Download--MRRTALALPLFLLVSACSSEPTPPPKPAAKPQARTVISPRPVRQSVQPILPLRGDYANNPAAQHFIDRMVSQHGFNRQQLHDLFAQTQRLDWVIRLMDRQAPTYTPPSGPNGAWLRYRKKFVTPGNVQNGVLFWDQYETDLQRASRVYGVPPEIIVGIIGVETRWGRVMGKTRIIDALSTLSFSYPRRAEFFSGELEQFLLQARKEGTDPLALRGSYAGAMGYGQFMPSSFTKYAVDFDGDGHIDLWNPRDAIGSVANYFKQHGWVSGDRVAVPASGRAPSLEDGFKTLYPLDVLASAGLRPQGPLGGHRQASLLRLDMGRNYQYWYGLPNFYVITRYNHSTHYAMAVWELGKEVDRVRHRSVVRQD
Complex: BLG_A_4(1D0M) / Model_7(1D0M/A) = [6.0] Download1748.5331.08MRRTALALPLFLLVSACSSEPTPPPKPAAKPQARTVISPRPVRQSVQPILPLRGDYANNPAAQHFIDRMVSQHGFNRQQLHDLFAQTQRLDWVIRLMDRQAPTYTPPSGPNGAWLRYRKKFVTPGNVQNGVLFWDQYETDLQRASRVYGVPPEIIVGIIGVETRWGRVMGKTRIIDALSTLSFSYPRRAEFFSGELEQFLLQARKEGTDPLALRGSYAGAMGYGQFMPSSFTKYAVDFDGDGHIDLWNPRDAIGSVANYFKQHGWVSGDRVAVPASGRAPSLEDGFKTLYPLDVLASAGLRPQGPLGGHRQASLLRLDMGRNYQYWYGLPNFYVITRYNHSTHYAMAVWELGKEVDRVRHRSVVRQD
Consensus
[pKd Mean = 4.30]
-1152
(s=435)
24
(s=4)
MRRTALALPLFLLVSACSSEPTPPPKPAAKPQARTVISPRPVRQSVQPILPLRGDYANNPAAQHFIDRMVSQHGFNRQQLHDLFAQTQRLDWVIRLMDRQAPTYTPPSGPNGAWLRYRKKFVTPGNVQNGVLFWDQYETDLQRASRVYGVPPEIIVGIIGVETRWGRVMGKTRIIDALSTLSFSYPRRAEFFSGELEQFLLQARKEGTDPLALRGSYAGAMGYGQFMPSSFTKYAVDFDGDGHIDLWNPRDAIGSVANYFKQHGWVSGDRVAVPASGRAPSLEDGFKTLYPLDVLASAGLRPQGPLGGHRQASLLRLDMGRNYQYWYGLPNFYVITRYNHSTHYAMAVWELGKEVDRVRHRSVVRQD