Study : Rv3542c (atomeDB@cbs.cnrs.fr)


Main Binding Site Prediction:


Binding Site Prediction

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Binding Site Number :C5_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 C5_S1
Complex: 4BN_A_5(4WNB) / Model_1(4WNB/A) = [7.2] Download2632.6833.43MTGVSDIQEAVAQIKAAGPSKPRLARDPVNQPMINNWVEAIGDRNPIYVDDAAARAAGHPGIVAPPAMIQVWTMMGLGGVRPKDDPLGPIIKLFDDAGYIGVVATNCEQTYHRYLLPGEQVSISAELGDVVGPKQTALGEGWFINQHIVWQVGDEDVAEMNWRILKFKPAGSPSSVPDDLDPDAMMRPSSSRDTAFFWDGVKAHELRIQRLADGSLRHPPVPAVWQDKSVPINYVVSSGRGTVFSFVVHHAPKVPGRTVPFVIALVELEEGVRMLGELRGADPARVAIGMPVRATYIDFPDWSLYAWEPDE
Consensus
[pKd Mean = 7.20]
-2632
(s=0)
33
(s=0)
MTGVSDIQEAVAQIKAAGPSKPRLARDPVNQPMINNWVEAIGDRNPIYVDDAAARAAGHPGIVAPPAMIQVWTMMGLGGVRPKDDPLGPIIKLFDDAGYIGVVATNCEQTYHRYLLPGEQVSISAELGDVVGPKQTALGEGWFINQHIVWQVGDEDVAEMNWRILKFKPAGSPSSVPDDLDPDAMMRPSSSRDTAFFWDGVKAHELRIQRLADGSLRHPPVPAVWQDKSVPINYVVSSGRGTVFSFVVHHAPKVPGRTVPFVIALVELEEGVRMLGELRGADPARVAIGMPVRATYIDFPDWSLYAWEPDE