Study : SA1492 (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_2(1EB3) / Model_44(1EB3/A) = [3.2] Download278.5017.80MKFDRHRRLRSSATMRDMVRENHVRKEDLIYPIFVVEKDDVKKEIKSLPGVYQISLNLLESELKEAYDLGIRAIMFFGVPNSKDDIGTGAYIHDGVIQQATRIAKKMYDDLLIVADTCLCEYTDHGHCGVIDDHTHDVDNDKSLPLLVKTAISQVEAGADIIAPSNMMDGFVAEIRRGLDEAGYYNIPIMSYGVKYASSFFGPFRDAADSAPSFGDRKTYQMDPANRLEALRELESDLKEGCDMMIVKPALSYLDIVRDVKNHTNVPVVAYNVSGEYSMTKAAAQNGWIDEERVVMEQMVSMKRAGADMIITYFAKDICRYLDK
Complex: SHF_A_3(1YLV) / Model_20(1YLV/A) = [3.3] Download249.7622.82MKFDRHRRLRSSATMRDMVRENHVRKEDLIYPIFVVEKDDVKKEIKSLPGVYQISLNLLESELKEAYDLGIRAIMFFGVPNSKDDIGTGAYIHDGVIQQATRIAKKMYDDLLIVADTCLCEYTDHGHCGVIDDHTHDVDNDKSLPLLVKTAISQVEAGADIIAPSNMMDGFVAEIRRGLDEAGYYNIPIMSYGVKYASSFFGPFRDAADSAPSFGDRKTYQMDPANRLEALRELESDLKEGCDMMIVKPALSYLDIVRDVKNHTNVPVVAYNVSGEYSMTKAAAQNGWIDEERVVMEQMVSMKRAGADMIITYFAKDICRYLDK
Complex: DSB_B_8(1I8J) / Model_23(1I8J/B) = [3.3] Download281.4319.29MKFDRHRRLRSSATMRDMVRENHVRKEDLIYPIFVVEKDDVKKEIKSLPGVYQISLNLLESELKEAYDLGIRAIMFFGVPNSKDDIGTGAYIHDGVIQQATRIAKKMYDDLLIVADTCLCEYTDHGHCGVIDDHTHDVDNDKSLPLLVKTAISQVEAGADIIAPSNMMDGFVAEIRRGLDEAGYYNIPIMSYGVKYASSFFGPFRDAADSAPSFGDRKTYQMDPANRLEALRELESDLKEGCDMMIVKPALSYLDIVRDVKNHTNVPVVAYNVSGEYSMTKAAAQNGWIDEERVVMEQMVSMKRAGADMIITYFAKDICRYLDK
Complex: KAH_A_2(1H7P) / Model_40(1H7P/A) = [3.4] Download301.6726.19MKFDRHRRLRSSATMRDMVRENHVRKEDLIYPIFVVEKDDVKKEIKSLPGVYQISLNLLESELKEAYDLGIRAIMFFGVPNSKDDIGTGAYIHDGVIQQATRIAKKMYDDLLIVADTCLCEYTDHGHCGVIDDHTHDVDNDKSLPLLVKTAISQVEAGADIIAPSNMMDGFVAEIRRGLDEAGYYNIPIMSYGVKYASSFFGPFRDAADSAPSFGDRKTYQMDPANRLEALRELESDLKEGCDMMIVKPALSYLDIVRDVKNHTNVPVVAYNVSGEYSMTKAAAQNGWIDEERVVMEQMVSMKRAGADMIITYFAKDICRYLDK
Complex: FMT_A_5(1W5M) / Model_11(1W5M/A) = [3.5] Download105.1050.00MKFDRHRRLRSSATMRDMVRENHVRKEDLIYPIFVVEKDDVKKEIKSLPGVYQISLNLLESELKEAYDLGIRAIMFFGVPNSKDDIGTGAYIHDGVIQQATRIAKKMYDDLLIVADTCLCEYTDHGHCGVIDDHTHDVDNDKSLPLLVKTAISQVEAGADIIAPSNMMDGFVAEIRRGLDEAGYYNIPIMSYGVKYASSFFGPFRDAADSAPSFGDRKTYQMDPANRLEALRELESDLKEGCDMMIVKPALSYLDIVRDVKNHTNVPVVAYNVSGEYSMTKAAAQNGWIDEERVVMEQMVSMKRAGADMIITYFAKDICRYLDK
Consensus
[pKd Mean = 3.34]
-243
(s=71)
27
(s=11)
MKFDRHRRLRSSATMRDMVRENHVRKEDLIYPIFVVEKDDVKKEIKSLPGVYQISLNLLESELKEAYDLGIRAIMFFGVPNSKDDIGTGAYIHDGVIQQATRIAKKMYDDLLIVADTCLCEYTDHGHCGVIDDHTHDVDNDKSLPLLVKTAISQVEAGADIIAPSNMMDGFVAEIRRGLDEAGYYNIPIMSYGVKYASSFFGPFRDAADSAPSFGDRKTYQMDPANRLEALRELESDLKEGCDMMIVKPALSYLDIVRDVKNHTNVPVVAYNVSGEYSMTKAAAQNGWIDEERVVMEQMVSMKRAGADMIITYFAKDICRYLDK