Study : 218_tI_BRAOT (atomeDB@cbs.cnrs.fr)


Main Binding Site Prediction:


Binding Site Prediction

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Binding Site Number :C2_S1
Best Complexes choosen after comparative docking [pKd > 3] : 3 (5 maxi)

Complexes [Theoretical pKd]FileVolume (A3)
(FPocket)
Hydrophobicity
Score(FPocket)
Contacts Ligand/Receptor [<4A] in Site C2_S1
Complex: DAO_E_5(2ALG) / Model_21(2ALG/A) = [3.5] Download736.0732.88NRALTCGTVNSNVAPCIGYITQGGTLPGACCTGVSKLNSMARTTPDRQQACRCLETAARALGPNLNAGRAAGIPKACGVSVPFPISTNTNCNNVK
Complex: LPC_A_4(1BWO) / Model_26(1BWO/A) = [4.4] Download1501.6947.20NRALTCGTVNSNVAPCIGYITQGGTLPGACCTGVSKLNSMARTTPDRQQACRCLETAARALGPNLNAGRAAGIPKACGVSVPFPISTNTNCNNVK
Complex: OLA_A_2(1FK5) / Model_11(1FK5/A) = [4.6] Download1115.5340.36NRALTCGTVNSNVAPCIGYITQGGTLPGACCTGVSKLNSMARTTPDRQQACRCLETAARALGPNLNAGRAAGIPKACGVSVPFPISTNTNCNNVK
Consensus
[pKd Mean = 4.17]
-1117
(s=312)
40
(s=5)
NRALTCGTVNSNVAPCIGYITQGGTLPGACCTGVSKLNSMARTTPDRQQACRCLETAARALGPNLNAGRAAGIPKACGVSVPFPISTNTNCNNVK