Study : jhp_0977 (atomeDB@cbs.cnrs.fr)


Main Binding Site Prediction:


Binding Site Prediction

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Binding Site Number :C4_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 C4_S1
Complex: ADN_A_2(3O1X) / Model_8(3O1X/A) = [4.4] Download565.3218.09MNVFEKIIQGEIPCSKILENERFLSFYDINPKAKVHALVIPKQSIQDFNGITPELMAQMTSFIFEVVEKLGIKEKGYKLLTNVGKNAGQEVMHLHFHILSGDKH
Complex: ADN_A_2(3O1C) / Model_92(3O1C/A) = [4.6] Download564.0118.09MNVFEKIIQGEIPCSKILENERFLSFYDINPKAKVHALVIPKQSIQDFNGITPELMAQMTSFIFEVVEKLGIKEKGYKLLTNVGKNAGQEVMHLHFHILSGDKH
Complex: ADN_A_2(3O1C) / Model_9(3O1C/A) = [4.6] Download658.1318.09MNVFEKIIQGEIPCSKILENERFLSFYDINPKAKVHALVIPKQSIQDFNGITPELMAQMTSFIFEVVEKLGIKEKGYKLLTNVGKNAGQEVMHLHFHILSGDKH
Complex: AMP_I_15(4ZGL) / Model_21(4ZGL/I) = [4.7] Download896.5819.19MNVFEKIIQGEIPCSKILENERFLSFYDINPKAKVHALVIPKQSIQDFNGITPELMAQMTSFIFEVVEKLGIKEKGYKLLTNVGKNAGQEVMHLHFHILSGDKH
Complex: AMP_F_13(4ZGL) / Model_23(4ZGL/F) = [4.8] Download639.9019.09MNVFEKIIQGEIPCSKILENERFLSFYDINPKAKVHALVIPKQSIQDFNGITPELMAQMTSFIFEVVEKLGIKEKGYKLLTNVGKNAGQEVMHLHFHILSGDKH
Consensus
[pKd Mean = 4.62]
-664
(s=122)
18
(s=0)
MNVFEKIIQGEIPCSKILENERFLSFYDINPKAKVHALVIPKQSIQDFNGITPELMAQMTSFIFEVVEKLGIKEKGYKLLTNVGKNAGQEVMHLHFHILSGDKH