Study : PA2104 (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: PLP_A_3(1VE1) / Model_109(1VE1/A) = [3.1] Download337.7911.88MIYDSLLDLIGGTPVIRLSKLSARLGVSVFAKLESFNPGGSHKARIALWMILDAERKGILVRGKGQTILEPSGGNTGIGLAMAGNILGYRVSLVVPDNYSPDKRQLLELYGAHVVLSDSRKGNNSHGELAIQILLEHPEFVMLNQQRNPANPQAHREATALEILRDFAGQPPPDFFFAGIGTGGHITGVGEVLRNHWPDMAIYGVQPEQCDLLDDRHASHEIQGLSIGIVPEVCNLGIVTGMVGVSKSACLSMIREVLQNDSVSMGLSSAANLVAVLNMASAMPSGARVLTMIYDGVESYMDAFR
Complex: PLP_A_3(1VE1) / Model_13(1VE1/A) = [3.1] Download365.7611.88MIYDSLLDLIGGTPVIRLSKLSARLGVSVFAKLESFNPGGSHKARIALWMILDAERKGILVRGKGQTILEPSGGNTGIGLAMAGNILGYRVSLVVPDNYSPDKRQLLELYGAHVVLSDSRKGNNSHGELAIQILLEHPEFVMLNQQRNPANPQAHREATALEILRDFAGQPPPDFFFAGIGTGGHITGVGEVLRNHWPDMAIYGVQPEQCDLLDDRHASHEIQGLSIGIVPEVCNLGIVTGMVGVSKSACLSMIREVLQNDSVSMGLSSAANLVAVLNMASAMPSGARVLTMIYDGVESYMDAFR
Complex: PLP_A_3(1OAS) / Model_121(1OAS/A) = [3.2] Download419.076.59MIYDSLLDLIGGTPVIRLSKLSARLGVSVFAKLESFNPGGSHKARIALWMILDAERKGILVRGKGQTILEPSGGNTGIGLAMAGNILGYRVSLVVPDNYSPDKRQLLELYGAHVVLSDSRKGNNSHGELAIQILLEHPEFVMLNQQRNPANPQAHREATALEILRDFAGQPPPDFFFAGIGTGGHITGVGEVLRNHWPDMAIYGVQPEQCDLLDDRHASHEIQGLSIGIVPEVCNLGIVTGMVGVSKSACLSMIREVLQNDSVSMGLSSAANLVAVLNMASAMPSGARVLTMIYDGVESYMDAFR
Complex: PLP_B_5(4AEC) / Model_70(4AEC/B) = [3.2] Download579.889.32MIYDSLLDLIGGTPVIRLSKLSARLGVSVFAKLESFNPGGSHKARIALWMILDAERKGILVRGKGQTILEPSGGNTGIGLAMAGNILGYRVSLVVPDNYSPDKRQLLELYGAHVVLSDSRKGNNSHGELAIQILLEHPEFVMLNQQRNPANPQAHREATALEILRDFAGQPPPDFFFAGIGTGGHITGVGEVLRNHWPDMAIYGVQPEQCDLLDDRHASHEIQGLSIGIVPEVCNLGIVTGMVGVSKSACLSMIREVLQNDSVSMGLSSAANLVAVLNMASAMPSGARVLTMIYDGVESYMDAFR
Complex: PLP_B_5(4L0D) / Model_32(4L0D/B) = [3.3] Download350.999.11MIYDSLLDLIGGTPVIRLSKLSARLGVSVFAKLESFNPGGSHKARIALWMILDAERKGILVRGKGQTILEPSGGNTGIGLAMAGNILGYRVSLVVPDNYSPDKRQLLELYGAHVVLSDSRKGNNSHGELAIQILLEHPEFVMLNQQRNPANPQAHREATALEILRDFAGQPPPDFFFAGIGTGGHITGVGEVLRNHWPDMAIYGVQPEQCDLLDDRHASHEIQGLSIGIVPEVCNLGIVTGMVGVSKSACLSMIREVLQNDSVSMGLSSAANLVAVLNMASAMPSGARVLTMIYDGVESYMDAFR
Consensus
[pKd Mean = 3.18]		-410
(s=88)		9
(s=2)		MIYDSLLDLIGGTPVIRLSKLSARLGVSVFAKLESFNPGGSHKARIALWMILDAERKGILVRGKGQTILEPSGGNTGIGLAMAGNILGYRVSLVVPDNYSPDKRQLLELYGAHVVLSDSRKGNNSHGELAIQILLEHPEFVMLNQQRNPANPQAHREATALEILRDFAGQPPPDFFFAGIGTGGHITGVGEVLRNHWPDMAIYGVQPEQCDLLDDRHASHEIQGLSIGIVPEVCNLGIVTGMVGVSKSACLSMIREVLQNDSVSMGLSSAANLVAVLNMASAMPSGARVLTMIYDGVESYMDAFR