Study : Rv0245 (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] : 4 (5 maxi)

Complexes [Theoretical pKd]FileVolume (A3)
(FPocket)
Hydrophobicity
Score(FPocket)
Contacts Ligand/Receptor [<4A] in Site C5_S1
Complex: NAD_A_3(4R82) / Model_33(4R82/A) = [4.4] Download1179.0410.22MNSTNNLTPSSLREAFGHFPTGVVAIAAEVDGVRQGLAASTFVPVSLEPPLVSFCVQNTSTTWPKLTGVPMLGISVLGEAHDAAVRTLAAKTGDRFAGLETVSNDAGAVFIKGTSVWLESAIEQLVPAGDHTIVVLRVNQVKVDPNVAPIVFHRSVLRRLGV
Complex: FMN_B_4(3PFT) / Model_21(3PFT/B) = [8.0] Download928.4935.74MNSTNNLTPSSLREAFGHFPTGVVAIAAEVDGVRQGLAASTFVPVSLEPPLVSFCVQNTSTTWPKLTGVPMLGISVLGEAHDAAVRTLAAKTGDRFAGLETVSNDAGAVFIKGTSVWLESAIEQLVPAGDHTIVVLRVNQVKVDPNVAPIVFHRSVLRRLGV
Complex: FMN_A_3(3PFT) / Model_2(3PFT/A) = [8.2] Download1168.0135.72MNSTNNLTPSSLREAFGHFPTGVVAIAAEVDGVRQGLAASTFVPVSLEPPLVSFCVQNTSTTWPKLTGVPMLGISVLGEAHDAAVRTLAAKTGDRFAGLETVSNDAGAVFIKGTSVWLESAIEQLVPAGDHTIVVLRVNQVKVDPNVAPIVFHRSVLRRLGV
Complex: FMN_A_3(3PFT) / Model_29(3PFT/A) = [8.2] Download1171.4535.72MNSTNNLTPSSLREAFGHFPTGVVAIAAEVDGVRQGLAASTFVPVSLEPPLVSFCVQNTSTTWPKLTGVPMLGISVLGEAHDAAVRTLAAKTGDRFAGLETVSNDAGAVFIKGTSVWLESAIEQLVPAGDHTIVVLRVNQVKVDPNVAPIVFHRSVLRRLGV
Consensus
[pKd Mean = 7.20]
-1111
(s=105)
29
(s=11)
MNSTNNLTPSSLREAFGHFPTGVVAIAAEVDGVRQGLAASTFVPVSLEPPLVSFCVQNTSTTWPKLTGVPMLGISVLGEAHDAAVRTLAAKTGDRFAGLETVSNDAGAVFIKGTSVWLESAIEQLVPAGDHTIVVLRVNQVKVDPNVAPIVFHRSVLRRLGV