Study : Lmo0742 (atomeDB@cbs.cnrs.fr)


Main Binding Site Prediction:


Binding Site Prediction

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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: ATP_A_3(3FVQ) / Model_32(3FVQ/A) = [6.8] Download1370.307.05MLVGNNIAKSYPNKLVLQNVDFEAKSGDMIVLTGENGSGKTTLLDMLASLKKPDSGTLELDNELFTTNDIRQQIAYLNNELYAKKSTTIEDFMKQHGLLFENIELDKWDRLLAGWRINKRLKLGELSTGMLMKVKIGSVLARKAKLYLYDEPFASIDIMARSEVMKAIISETNPDAITIISSHHLEGTEKLYSKLWLIKDNTLQTIETETYREETGNALIDFYKEEMNK
Consensus
[pKd Mean = 6.80]
-1370
(s=0)
7
(s=0)
MLVGNNIAKSYPNKLVLQNVDFEAKSGDMIVLTGENGSGKTTLLDMLASLKKPDSGTLELDNELFTTNDIRQQIAYLNNELYAKKSTTIEDFMKQHGLLFENIELDKWDRLLAGWRINKRLKLGELSTGMLMKVKIGSVLARKAKLYLYDEPFASIDIMARSEVMKAIISETNPDAITIISSHHLEGTEKLYSKLWLIKDNTLQTIETETYREETGNALIDFYKEEMNK