Study : I3DZX0_BACMT (atomeDB@cbs.cnrs.fr)


Main Binding Site Prediction:


Binding Site Prediction

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Binding Site Number :C3_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 C3_S1
Complex: UNL_A_2(3F7W) / Model_49(3F7W/A) = [3.2] Download545.2733.54MKNKVEAILREMGDQSALNEVTPVSGGDISRAFQAKTANGVYFIKINDKAPEDFFLKEAEGLNLLRQAGALPVPQVYYVSPPSAEDGYIIMEWVKGESAPNTESRLGHGLALLHQHTHTHYGLAENNYIGRLPQPNRWEKSWTRFLREHRLGFQAKLAEKRGRLPAGRKTRLEKLLDRLEQWVPDYRQPVLLHGDLWSGNWLAGPRGEPYLIDPAVFYGEREFELAFTELFGGFSPRFYAAYRDVQPLSDNYEEVRPLYQLYYLLVHLNLFGESYGPSVDRILTYYAG
Complex: EDO_A_7(3F7W) / Model_2(3F7W/A) = [3.3] Download647.0411.36MKNKVEAILREMGDQSALNEVTPVSGGDISRAFQAKTANGVYFIKINDKAPEDFFLKEAEGLNLLRQAGALPVPQVYYVSPPSAEDGYIIMEWVKGESAPNTESRLGHGLALLHQHTHTHYGLAENNYIGRLPQPNRWEKSWTRFLREHRLGFQAKLAEKRGRLPAGRKTRLEKLLDRLEQWVPDYRQPVLLHGDLWSGNWLAGPRGEPYLIDPAVFYGEREFELAFTELFGGFSPRFYAAYRDVQPLSDNYEEVRPLYQLYYLLVHLNLFGESYGPSVDRILTYYAG
Consensus
[pKd Mean = 3.25]
-596
(s=50)
22
(s=11)
MKNKVEAILREMGDQSALNEVTPVSGGDISRAFQAKTANGVYFIKINDKAPEDFFLKEAEGLNLLRQAGALPVPQVYYVSPPSAEDGYIIMEWVKGESAPNTESRLGHGLALLHQHTHTHYGLAENNYIGRLPQPNRWEKSWTRFLREHRLGFQAKLAEKRGRLPAGRKTRLEKLLDRLEQWVPDYRQPVLLHGDLWSGNWLAGPRGEPYLIDPAVFYGEREFELAFTELFGGFSPRFYAAYRDVQPLSDNYEEVRPLYQLYYLLVHLNLFGESYGPSVDRILTYYAG