Study : bsu28130 (atomeDB@cbs.cnrs.fr)


Main Binding Site Prediction:


Binding Site Prediction

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Binding Site Number :C8_S1
Best Complexes choosen after comparative docking [pKd > 3] : 5 (5 maxi)

Complexes [Theoretical pKd]FileVolume (A3)
(FPocket)
Hydrophobicity
Score(FPocket)
Contacts Ligand/Receptor [<4A] in Site C8_S1
Complex: DSB_A_4(2C1H) / Model_2(2C1H/A) = [3.1] Download341.0414.89MSQSFNRHRRLRTSKAMREMVKETRLHPSDFIYPIFVVEGLEGKKAVPSMPDVHHVSLDLLKDEVAELVKLGIQSVIVFGIPEEKDDCGTQAYHDHGIVQKAITEIKEHFPEMVVVADTCLCEYTDHGHCGLVKDGVILNDESLELLAQTAVSQAKAGADIIAPSNMMDGFVTVIREALDKEGFVNIPIMSYAVKYSSEFYGPFRDAANSTPQFGDRKTYQMDPANRMEALREAQSDVEEGADFLIVKPSLSYMDIMRDVKNEFTLPLVAYNVSGEYSMVKAAAQNGWIKEKEIVLEILTSMKRAGADLIITYHAKDAAKWLAE
Complex: DSB_B_8(1I8J) / Model_28(1I8J/B) = [3.1] Download273.8019.15MSQSFNRHRRLRTSKAMREMVKETRLHPSDFIYPIFVVEGLEGKKAVPSMPDVHHVSLDLLKDEVAELVKLGIQSVIVFGIPEEKDDCGTQAYHDHGIVQKAITEIKEHFPEMVVVADTCLCEYTDHGHCGLVKDGVILNDESLELLAQTAVSQAKAGADIIAPSNMMDGFVTVIREALDKEGFVNIPIMSYAVKYSSEFYGPFRDAANSTPQFGDRKTYQMDPANRMEALREAQSDVEEGADFLIVKPSLSYMDIMRDVKNEFTLPLVAYNVSGEYSMVKAAAQNGWIKEKEIVLEILTSMKRAGADLIITYHAKDAAKWLAE
Complex: GOL_A_8(5IC2) / Model_8(5IC2/A) = [3.3] Download517.88-1.10MSQSFNRHRRLRTSKAMREMVKETRLHPSDFIYPIFVVEGLEGKKAVPSMPDVHHVSLDLLKDEVAELVKLGIQSVIVFGIPEEKDDCGTQAYHDHGIVQKAITEIKEHFPEMVVVADTCLCEYTDHGHCGLVKDGVILNDESLELLAQTAVSQAKAGADIIAPSNMMDGFVTVIREALDKEGFVNIPIMSYAVKYSSEFYGPFRDAANSTPQFGDRKTYQMDPANRMEALREAQSDVEEGADFLIVKPSLSYMDIMRDVKNEFTLPLVAYNVSGEYSMVKAAAQNGWIKEKEIVLEILTSMKRAGADLIITYHAKDAAKWLAE
Complex: DAV_A_2(1H7O) / Model_41(1H7O/A) = [3.3] Download195.4020.43MSQSFNRHRRLRTSKAMREMVKETRLHPSDFIYPIFVVEGLEGKKAVPSMPDVHHVSLDLLKDEVAELVKLGIQSVIVFGIPEEKDDCGTQAYHDHGIVQKAITEIKEHFPEMVVVADTCLCEYTDHGHCGLVKDGVILNDESLELLAQTAVSQAKAGADIIAPSNMMDGFVTVIREALDKEGFVNIPIMSYAVKYSSEFYGPFRDAANSTPQFGDRKTYQMDPANRMEALREAQSDVEEGADFLIVKPSLSYMDIMRDVKNEFTLPLVAYNVSGEYSMVKAAAQNGWIKEKEIVLEILTSMKRAGADLIITYHAKDAAKWLAE
Complex: AYC_A_2(2WOQ) / Model_14(2WOQ/A) = [3.4] Download345.2921.27MSQSFNRHRRLRTSKAMREMVKETRLHPSDFIYPIFVVEGLEGKKAVPSMPDVHHVSLDLLKDEVAELVKLGIQSVIVFGIPEEKDDCGTQAYHDHGIVQKAITEIKEHFPEMVVVADTCLCEYTDHGHCGLVKDGVILNDESLELLAQTAVSQAKAGADIIAPSNMMDGFVTVIREALDKEGFVNIPIMSYAVKYSSEFYGPFRDAANSTPQFGDRKTYQMDPANRMEALREAQSDVEEGADFLIVKPSLSYMDIMRDVKNEFTLPLVAYNVSGEYSMVKAAAQNGWIKEKEIVLEILTSMKRAGADLIITYHAKDAAKWLAE
Consensus
[pKd Mean = 3.24]
-334
(s=106)
14
(s=8)
MSQSFNRHRRLRTSKAMREMVKETRLHPSDFIYPIFVVEGLEGKKAVPSMPDVHHVSLDLLKDEVAELVKLGIQSVIVFGIPEEKDDCGTQAYHDHGIVQKAITEIKEHFPEMVVVADTCLCEYTDHGHCGLVKDGVILNDESLELLAQTAVSQAKAGADIIAPSNMMDGFVTVIREALDKEGFVNIPIMSYAVKYSSEFYGPFRDAANSTPQFGDRKTYQMDPANRMEALREAQSDVEEGADFLIVKPSLSYMDIMRDVKNEFTLPLVAYNVSGEYSMVKAAAQNGWIKEKEIVLEILTSMKRAGADLIITYHAKDAAKWLAE