Study : Wbm0495 (atomeDB@cbs.cnrs.fr)


Main Binding Site Prediction:


Binding Site Prediction

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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: GOL_A_10(4H5N) / Model_72(4H5N/A) = [3.2] Download332.711.15MGRAIGIDLGTTNSCVAIQGKIIENKEGARTTPSVVAFTSSGERLIGAPAKRQATTNASNTFFATKRLIGRQYGDPEMKDLNVPYKVFAAKNGDAWIKTTDGKEYSPSQIGAFILQNLKEAAEAYLGEEVKDAVITVPAYFNDSQRQATKDAGKIAGLNVLRIVNEPTAAALAYGLDKKHGHTIVVYDLGGGTFDVSILEIGDGVFEVKATNGDTHLGGEDFDNAIVSYLLDEFKKSNGIGLKNDPMAMQRIKEAAEKAKIELSSAMETEINLPFITADANGPKHLNMKLTRAKLESLVNDLIERTMTPCKKALEDTGLSANQIGEVVLVGGMTRMPRVIEKVKEFFGKDPHRGVNPDEVVAIGAAIQAGIVQGDVRDVLLLDVTPLSLGIETLGGVFTPLIERNTTIPTKKSQVFSTAEDNQTAVTIKVHQGERKLAVDNKLLGQFSLEGIPPAPRGIPQIEVTFDIDANGIVHVSAKDKATGKEQKIRIQSSGGLSESEINRMIREAEEKAQEDEKRKKFVEVKNQADSLVHSTEKSLKEYGDKVSPEDKSAIENAVNELKEASKSDNIDDVDSIQQKITNLSQLSMKLGETIYKESQQQQGKESSAGSSTTNEEEKVVDSDYQDIDNKEENK
Complex: TRS_B_6(3A8Y) / Model_30(3A8Y/B) = [4.2] Download419.835.50MGRAIGIDLGTTNSCVAIQGKIIENKEGARTTPSVVAFTSSGERLIGAPAKRQATTNASNTFFATKRLIGRQYGDPEMKDLNVPYKVFAAKNGDAWIKTTDGKEYSPSQIGAFILQNLKEAAEAYLGEEVKDAVITVPAYFNDSQRQATKDAGKIAGLNVLRIVNEPTAAALAYGLDKKHGHTIVVYDLGGGTFDVSILEIGDGVFEVKATNGDTHLGGEDFDNAIVSYLLDEFKKSNGIGLKNDPMAMQRIKEAAEKAKIELSSAMETEINLPFITADANGPKHLNMKLTRAKLESLVNDLIERTMTPCKKALEDTGLSANQIGEVVLVGGMTRMPRVIEKVKEFFGKDPHRGVNPDEVVAIGAAIQAGIVQGDVRDVLLLDVTPLSLGIETLGGVFTPLIERNTTIPTKKSQVFSTAEDNQTAVTIKVHQGERKLAVDNKLLGQFSLEGIPPAPRGIPQIEVTFDIDANGIVHVSAKDKATGKEQKIRIQSSGGLSESEINRMIREAEEKAQEDEKRKKFVEVKNQADSLVHSTEKSLKEYGDKVSPEDKSAIENAVNELKEASKSDNIDDVDSIQQKITNLSQLSMKLGETIYKESQQQQGKESSAGSSTTNEEEKVVDSDYQDIDNKEENK
Complex: TRS_A_5(3A8Y) / Model_17(3A8Y/A) = [4.2] Download488.407.84MGRAIGIDLGTTNSCVAIQGKIIENKEGARTTPSVVAFTSSGERLIGAPAKRQATTNASNTFFATKRLIGRQYGDPEMKDLNVPYKVFAAKNGDAWIKTTDGKEYSPSQIGAFILQNLKEAAEAYLGEEVKDAVITVPAYFNDSQRQATKDAGKIAGLNVLRIVNEPTAAALAYGLDKKHGHTIVVYDLGGGTFDVSILEIGDGVFEVKATNGDTHLGGEDFDNAIVSYLLDEFKKSNGIGLKNDPMAMQRIKEAAEKAKIELSSAMETEINLPFITADANGPKHLNMKLTRAKLESLVNDLIERTMTPCKKALEDTGLSANQIGEVVLVGGMTRMPRVIEKVKEFFGKDPHRGVNPDEVVAIGAAIQAGIVQGDVRDVLLLDVTPLSLGIETLGGVFTPLIERNTTIPTKKSQVFSTAEDNQTAVTIKVHQGERKLAVDNKLLGQFSLEGIPPAPRGIPQIEVTFDIDANGIVHVSAKDKATGKEQKIRIQSSGGLSESEINRMIREAEEKAQEDEKRKKFVEVKNQADSLVHSTEKSLKEYGDKVSPEDKSAIENAVNELKEASKSDNIDDVDSIQQKITNLSQLSMKLGETIYKESQQQQGKESSAGSSTTNEEEKVVDSDYQDIDNKEENK
Complex: 3F5_A_3(3M3Z) / Model_87(3M3Z/A) = [4.8] Download839.46-2.95MGRAIGIDLGTTNSCVAIQGKIIENKEGARTTPSVVAFTSSGERLIGAPAKRQATTNASNTFFATKRLIGRQYGDPEMKDLNVPYKVFAAKNGDAWIKTTDGKEYSPSQIGAFILQNLKEAAEAYLGEEVKDAVITVPAYFNDSQRQATKDAGKIAGLNVLRIVNEPTAAALAYGLDKKHGHTIVVYDLGGGTFDVSILEIGDGVFEVKATNGDTHLGGEDFDNAIVSYLLDEFKKSNGIGLKNDPMAMQRIKEAAEKAKIELSSAMETEINLPFITADANGPKHLNMKLTRAKLESLVNDLIERTMTPCKKALEDTGLSANQIGEVVLVGGMTRMPRVIEKVKEFFGKDPHRGVNPDEVVAIGAAIQAGIVQGDVRDVLLLDVTPLSLGIETLGGVFTPLIERNTTIPTKKSQVFSTAEDNQTAVTIKVHQGERKLAVDNKLLGQFSLEGIPPAPRGIPQIEVTFDIDANGIVHVSAKDKATGKEQKIRIQSSGGLSESEINRMIREAEEKAQEDEKRKKFVEVKNQADSLVHSTEKSLKEYGDKVSPEDKSAIENAVNELKEASKSDNIDDVDSIQQKITNLSQLSMKLGETIYKESQQQQGKESSAGSSTTNEEEKVVDSDYQDIDNKEENK
Complex: 3BH_A_3(3FZH) / Model_92(3FZH/A) = [5.0] Download852.78-3.17MGRAIGIDLGTTNSCVAIQGKIIENKEGARTTPSVVAFTSSGERLIGAPAKRQATTNASNTFFATKRLIGRQYGDPEMKDLNVPYKVFAAKNGDAWIKTTDGKEYSPSQIGAFILQNLKEAAEAYLGEEVKDAVITVPAYFNDSQRQATKDAGKIAGLNVLRIVNEPTAAALAYGLDKKHGHTIVVYDLGGGTFDVSILEIGDGVFEVKATNGDTHLGGEDFDNAIVSYLLDEFKKSNGIGLKNDPMAMQRIKEAAEKAKIELSSAMETEINLPFITADANGPKHLNMKLTRAKLESLVNDLIERTMTPCKKALEDTGLSANQIGEVVLVGGMTRMPRVIEKVKEFFGKDPHRGVNPDEVVAIGAAIQAGIVQGDVRDVLLLDVTPLSLGIETLGGVFTPLIERNTTIPTKKSQVFSTAEDNQTAVTIKVHQGERKLAVDNKLLGQFSLEGIPPAPRGIPQIEVTFDIDANGIVHVSAKDKATGKEQKIRIQSSGGLSESEINRMIREAEEKAQEDEKRKKFVEVKNQADSLVHSTEKSLKEYGDKVSPEDKSAIENAVNELKEASKSDNIDDVDSIQQKITNLSQLSMKLGETIYKESQQQQGKESSAGSSTTNEEEKVVDSDYQDIDNKEENK
Consensus
[pKd Mean = 4.28]
-586
(s=217)
1
(s=4)
MGRAIGIDLGTTNSCVAIQGKIIENKEGARTTPSVVAFTSSGERLIGAPAKRQATTNASNTFFATKRLIGRQYGDPEMKDLNVPYKVFAAKNGDAWIKTTDGKEYSPSQIGAFILQNLKEAAEAYLGEEVKDAVITVPAYFNDSQRQATKDAGKIAGLNVLRIVNEPTAAALAYGLDKKHGHTIVVYDLGGGTFDVSILEIGDGVFEVKATNGDTHLGGEDFDNAIVSYLLDEFKKSNGIGLKNDPMAMQRIKEAAEKAKIELSSAMETEINLPFITADANGPKHLNMKLTRAKLESLVNDLIERTMTPCKKALEDTGLSANQIGEVVLVGGMTRMPRVIEKVKEFFGKDPHRGVNPDEVVAIGAAIQAGIVQGDVRDVLLLDVTPLSLGIETLGGVFTPLIERNTTIPTKKSQVFSTAEDNQTAVTIKVHQGERKLAVDNKLLGQFSLEGIPPAPRGIPQIEVTFDIDANGIVHVSAKDKATGKEQKIRIQSSGGLSESEINRMIREAEEKAQEDEKRKKFVEVKNQADSLVHSTEKSLKEYGDKVSPEDKSAIENAVNELKEASKSDNIDDVDSIQQKITNLSQLSMKLGETIYKESQQQQGKESSAGSSTTNEEEKVVDSDYQDIDNKEENK