Study : bsu15800 (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] : 2 (5 maxi)

Complexes [Theoretical pKd]FileVolume (A3)
(FPocket)
Hydrophobicity
Score(FPocket)
Contacts Ligand/Receptor [<4A] in Site C2_S1
Complex: VIB_B_9(3LM8) / Model_21(3LM8/D) = [3.1] Download265.4614.25MKTINIVAGGPKNLIPDLTGYTDEHTLWIGVDKGTVTLLDAGIIPVEAFGDFDSITEQERRRIEKAAPALHVYQAEKDQTDLDLALDWALEKQPDIIQIFGITGGRADHFLGNIQLLYKGVKTNIKIRLIDKQNHIQMFPPGEYDIEKDENKRYISFIPFSEDIHELTLTGFKYPLNNCHITLGSTLCISNELIHSRGTFSFAKGILIMIRSTD
Complex: VIB_A_5(3LM8) / Model_22(3LM8/C) = [3.7] Download531.75-2.70MKTINIVAGGPKNLIPDLTGYTDEHTLWIGVDKGTVTLLDAGIIPVEAFGDFDSITEQERRRIEKAAPALHVYQAEKDQTDLDLALDWALEKQPDIIQIFGITGGRADHFLGNIQLLYKGVKTNIKIRLIDKQNHIQMFPPGEYDIEKDENKRYISFIPFSEDIHELTLTGFKYPLNNCHITLGSTLCISNELIHSRGTFSFAKGILIMIRSTD
Consensus
[pKd Mean = 3.40]
-398
(s=133)
5
(s=8)
MKTINIVAGGPKNLIPDLTGYTDEHTLWIGVDKGTVTLLDAGIIPVEAFGDFDSITEQERRRIEKAAPALHVYQAEKDQTDLDLALDWALEKQPDIIQIFGITGGRADHFLGNIQLLYKGVKTNIKIRLIDKQNHIQMFPPGEYDIEKDENKRYISFIPFSEDIHELTLTGFKYPLNNCHITLGSTLCISNELIHSRGTFSFAKGILIMIRSTD