Study : bsu06420 (atomeDB@cbs.cnrs.fr)


Main Binding Site Prediction:


Binding Site Prediction

Download fasta file
Download text file


Binding Site Number :C7_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 C7_S1
Complex: ACY_M_13(2FW1) / Model_29(2FW1/B) = [3.3] Download481.7121.94MQPLVGIIMGSTSDWETMKHACDILDELNVPYEKKVVSAHRTPDFMFEYAETARERGIKVIIAGAGGAAHLPGMTAAKTTLPVIGVPVQSKALNGMDSLLSIVQMPGGVPVATTSIGKAGAVNAGLLAAQILSAFDEDLARKLDERRENTKQTVLESSDQLV
Complex: FMT_D_23(3LP6) / Model_35(3LP6/D) = [3.4] Download279.0213.86MQPLVGIIMGSTSDWETMKHACDILDELNVPYEKKVVSAHRTPDFMFEYAETARERGIKVIIAGAGGAAHLPGMTAAKTTLPVIGVPVQSKALNGMDSLLSIVQMPGGVPVATTSIGKAGAVNAGLLAAQILSAFDEDLARKLDERRENTKQTVLESSDQLV
Complex: FMT_A_7(3LP6) / Model_38(3LP6/A) = [3.4] Download221.9912.27MQPLVGIIMGSTSDWETMKHACDILDELNVPYEKKVVSAHRTPDFMFEYAETARERGIKVIIAGAGGAAHLPGMTAAKTTLPVIGVPVQSKALNGMDSLLSIVQMPGGVPVATTSIGKAGAVNAGLLAAQILSAFDEDLARKLDERRENTKQTVLESSDQLV
Complex: FMT_A_7(3LP6) / Model_77(3LP6/A) = [3.4] Download196.1812.27MQPLVGIIMGSTSDWETMKHACDILDELNVPYEKKVVSAHRTPDFMFEYAETARERGIKVIIAGAGGAAHLPGMTAAKTTLPVIGVPVQSKALNGMDSLLSIVQMPGGVPVATTSIGKAGAVNAGLLAAQILSAFDEDLARKLDERRENTKQTVLESSDQLV
Complex: ACY_I_9(2FW1) / Model_10(2FW1/A) = [3.6] Download566.058.50MQPLVGIIMGSTSDWETMKHACDILDELNVPYEKKVVSAHRTPDFMFEYAETARERGIKVIIAGAGGAAHLPGMTAAKTTLPVIGVPVQSKALNGMDSLLSIVQMPGGVPVATTSIGKAGAVNAGLLAAQILSAFDEDLARKLDERRENTKQTVLESSDQLV
Consensus
[pKd Mean = 3.42]
-348
(s=147)
13
(s=4)
MQPLVGIIMGSTSDWETMKHACDILDELNVPYEKKVVSAHRTPDFMFEYAETARERGIKVIIAGAGGAAHLPGMTAAKTTLPVIGVPVQSKALNGMDSLLSIVQMPGGVPVATTSIGKAGAVNAGLLAAQILSAFDEDLARKLDERRENTKQTVLESSDQLV