Study : Q0WE80_YERPE_ (atomeDB@cbs.cnrs.fr)


Main Binding Site Prediction:


Binding Site Prediction

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Binding Site Number :C4_S1
Best Complexes choosen after comparative docking [pKd > 3] : 2 (5 maxi)

Complexes [Theoretical pKd]FileVolume (A3)
(FPocket)
Hydrophobicity
Score(FPocket)
Contacts Ligand/Receptor [<4A] in Site C4_S1
Complex: EDO_A_7(3F7W) / Model_53(3F7W/A) = [3.4] Download428.0717.00MWQAVNRLLSECLGPAEIRERTELPGGDIHEAWRLSYGEKEVFVKCNTREMLPIFTAESDQLSLLARSKTVQVPEVYGVGSDRDYSFLLLEYIPLKPLDAHNAYCLGQQLAHLHQWSEQLQFGLDFDNDLATTPQPNSWQRRWAQFFAEKRIGWQLQLAAEKGMSFGDIDDITNAVQERLQSHQPQPSLLHGDLWPANCAASSNGPVIFDPACYWGDRECDLSMLPLYPTLPAQIYDGYQSVWPLPIGFIERQSIYQLYYLLNRSNLFGGKHLINAQKAVDNLLHPEQFSL
Complex: AMP_A_3(4R78) / Model_60(4R78/A) = [5.0] Download1084.9020.58MWQAVNRLLSECLGPAEIRERTELPGGDIHEAWRLSYGEKEVFVKCNTREMLPIFTAESDQLSLLARSKTVQVPEVYGVGSDRDYSFLLLEYIPLKPLDAHNAYCLGQQLAHLHQWSEQLQFGLDFDNDLATTPQPNSWQRRWAQFFAEKRIGWQLQLAAEKGMSFGDIDDITNAVQERLQSHQPQPSLLHGDLWPANCAASSNGPVIFDPACYWGDRECDLSMLPLYPTLPAQIYDGYQSVWPLPIGFIERQSIYQLYYLLNRSNLFGGKHLINAQKAVDNLLHPEQFSL
Consensus
[pKd Mean = 4.20]
-756
(s=328)
18
(s=1)
MWQAVNRLLSECLGPAEIRERTELPGGDIHEAWRLSYGEKEVFVKCNTREMLPIFTAESDQLSLLARSKTVQVPEVYGVGSDRDYSFLLLEYIPLKPLDAHNAYCLGQQLAHLHQWSEQLQFGLDFDNDLATTPQPNSWQRRWAQFFAEKRIGWQLQLAAEKGMSFGDIDDITNAVQERLQSHQPQPSLLHGDLWPANCAASSNGPVIFDPACYWGDRECDLSMLPLYPTLPAQIYDGYQSVWPLPIGFIERQSIYQLYYLLNRSNLFGGKHLINAQKAVDNLLHPEQFSL