Study : PA0593 (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] : 4 (5 maxi)

Complexes [Theoretical pKd]FileVolume (A3)
(FPocket)
Hydrophobicity
Score(FPocket)
Contacts Ligand/Receptor [<4A] in Site C3_S1
Complex: EOH_A_5(1YXO) / Model_23(1YXO/A) = [3.4] Download186.8230.20MSLRFALTPGEPAGIGPDLCLLLARSAQPHPLIAIASRTLLQERAGQLGLAIDLKDVSPAAWPERPAKAGQLYVWDTPLAAPVRPGQLDRANAAYVLETLTRAGQGCLDGHFAGMITAPVHKGVINEAGIPFSGHTEFLADLTHTAQVVMMLATRGLRVALATTHLPLREVADAISDERLTRVARILHADLRDKFGIAHPRILVCGLNPHAGEGGHLGREEIEVIEPCLERLRGEGLDLIGPLPADTLFTPKHLEHCDAVLAMYHDQGLPVLKYKGFGAAVNVTLGLPIIRTSVDHGTALDLAGSGRIDSGSLQVALETAYQMAASRC
Complex: EOH_A_5(1YXO) / Model_1(1YXO/A) = [3.4] Download186.9430.20MSLRFALTPGEPAGIGPDLCLLLARSAQPHPLIAIASRTLLQERAGQLGLAIDLKDVSPAAWPERPAKAGQLYVWDTPLAAPVRPGQLDRANAAYVLETLTRAGQGCLDGHFAGMITAPVHKGVINEAGIPFSGHTEFLADLTHTAQVVMMLATRGLRVALATTHLPLREVADAISDERLTRVARILHADLRDKFGIAHPRILVCGLNPHAGEGGHLGREEIEVIEPCLERLRGEGLDLIGPLPADTLFTPKHLEHCDAVLAMYHDQGLPVLKYKGFGAAVNVTLGLPIIRTSVDHGTALDLAGSGRIDSGSLQVALETAYQMAASRC
Complex: 4TP_A_5(1PS6) / Model_2(1PS6/A) = [3.4] Download683.5016.43MSLRFALTPGEPAGIGPDLCLLLARSAQPHPLIAIASRTLLQERAGQLGLAIDLKDVSPAAWPERPAKAGQLYVWDTPLAAPVRPGQLDRANAAYVLETLTRAGQGCLDGHFAGMITAPVHKGVINEAGIPFSGHTEFLADLTHTAQVVMMLATRGLRVALATTHLPLREVADAISDERLTRVARILHADLRDKFGIAHPRILVCGLNPHAGEGGHLGREEIEVIEPCLERLRGEGLDLIGPLPADTLFTPKHLEHCDAVLAMYHDQGLPVLKYKGFGAAVNVTLGLPIIRTSVDHGTALDLAGSGRIDSGSLQVALETAYQMAASRC
Complex: EOH_B_6(1YXO) / Model_19(1YXO/B) = [3.5] Download164.0830.20MSLRFALTPGEPAGIGPDLCLLLARSAQPHPLIAIASRTLLQERAGQLGLAIDLKDVSPAAWPERPAKAGQLYVWDTPLAAPVRPGQLDRANAAYVLETLTRAGQGCLDGHFAGMITAPVHKGVINEAGIPFSGHTEFLADLTHTAQVVMMLATRGLRVALATTHLPLREVADAISDERLTRVARILHADLRDKFGIAHPRILVCGLNPHAGEGGHLGREEIEVIEPCLERLRGEGLDLIGPLPADTLFTPKHLEHCDAVLAMYHDQGLPVLKYKGFGAAVNVTLGLPIIRTSVDHGTALDLAGSGRIDSGSLQVALETAYQMAASRC
Consensus
[pKd Mean = 3.42]
-305
(s=218)
26
(s=6)
MSLRFALTPGEPAGIGPDLCLLLARSAQPHPLIAIASRTLLQERAGQLGLAIDLKDVSPAAWPERPAKAGQLYVWDTPLAAPVRPGQLDRANAAYVLETLTRAGQGCLDGHFAGMITAPVHKGVINEAGIPFSGHTEFLADLTHTAQVVMMLATRGLRVALATTHLPLREVADAISDERLTRVARILHADLRDKFGIAHPRILVCGLNPHAGEGGHLGREEIEVIEPCLERLRGEGLDLIGPLPADTLFTPKHLEHCDAVLAMYHDQGLPVLKYKGFGAAVNVTLGLPIIRTSVDHGTALDLAGSGRIDSGSLQVALETAYQMAASRC