Study : bsu11980 (atomeDB@cbs.cnrs.fr)


Main Binding Site Prediction:


Binding Site Prediction

Download fasta file
Download text file


Binding Site Number :C1_S1
Best Complexes choosen after comparative docking [pKd > 3] : 1 (5 maxi)

Complexes [Theoretical pKd]FileVolume (A3)
(FPocket)
Hydrophobicity
Score(FPocket)
Contacts Ligand/Receptor [<4A] in Site C1_S1
Complex: EDO_B_22(3RRO) / Model_41(3RRO/B) = [3.2] Download430.8414.23MSHSQEKIALITGASSQGDIGTAICRKLASQGIHIFFTHWNSDTAWIEEFQQEILRMGVRCEAMKIDLSDAHAAFTIHEKISDKLGYPSILINNAAHSASDNYVSLDAKSLDEHYAVNMRSNFLLCVEFARRFKKSNLISGRIINMTSGQDLGPLPGELAYAATKGAISAFTRSLSQELAPLGITVNAVNPGPTDSTWMTDEIRNFLSPKFPMGRIGTPDDAARMIAFLASDEAEWITGQIIHSEGGFIRG
Consensus
[pKd Mean = 3.20]
-430
(s=0)
14
(s=0)
MSHSQEKIALITGASSQGDIGTAICRKLASQGIHIFFTHWNSDTAWIEEFQQEILRMGVRCEAMKIDLSDAHAAFTIHEKISDKLGYPSILINNAAHSASDNYVSLDAKSLDEHYAVNMRSNFLLCVEFARRFKKSNLISGRIINMTSGQDLGPLPGELAYAATKGAISAFTRSLSQELAPLGITVNAVNPGPTDSTWMTDEIRNFLSPKFPMGRIGTPDDAARMIAFLASDEAEWITGQIIHSEGGFIRG