Study : jhp_0083 (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: ACY_A_3(1NM2) / Model_25(1NM2/A) = [3.1] Download321.3743.87MQYALLFPGQGSQCIGMGKSFYESHTLAKELFERASNVLKVDMKKTLFEENELLKESAYTQPAIYLVSYIAYQLLNKQANGGLKPVFALGHSLGEVSAVSLSGALDFEKALKLTHQRGKMMQEACANKDASMMVVLGVSEESLLSLCQRTKNVWCANFNGGMQVVLAGVKDDLKALEPTLKEMGAKRVVFLEMSVASHCPFLEPMIFKFQELLEKSLKDKFHFEIISNATNEAYHNKSKAVELLSLQLTQPVRYQDCVKSNNDRVDVFFELGCGSVLKGLNKRLSNKPTISVGDNKGLDEAIEFLEEYV
Complex: COZ_B_2(2G2Z) / Model_9(2G2Z/A) = [5.8] Download1906.0631.93MQYALLFPGQGSQCIGMGKSFYESHTLAKELFERASNVLKVDMKKTLFEENELLKESAYTQPAIYLVSYIAYQLLNKQANGGLKPVFALGHSLGEVSAVSLSGALDFEKALKLTHQRGKMMQEACANKDASMMVVLGVSEESLLSLCQRTKNVWCANFNGGMQVVLAGVKDDLKALEPTLKEMGAKRVVFLEMSVASHCPFLEPMIFKFQELLEKSLKDKFHFEIISNATNEAYHNKSKAVELLSLQLTQPVRYQDCVKSNNDRVDVFFELGCGSVLKGLNKRLSNKPTISVGDNKGLDEAIEFLEEYV
Consensus
[pKd Mean = 4.45]
-1113
(s=792)
37
(s=6)
MQYALLFPGQGSQCIGMGKSFYESHTLAKELFERASNVLKVDMKKTLFEENELLKESAYTQPAIYLVSYIAYQLLNKQANGGLKPVFALGHSLGEVSAVSLSGALDFEKALKLTHQRGKMMQEACANKDASMMVVLGVSEESLLSLCQRTKNVWCANFNGGMQVVLAGVKDDLKALEPTLKEMGAKRVVFLEMSVASHCPFLEPMIFKFQELLEKSLKDKFHFEIISNATNEAYHNKSKAVELLSLQLTQPVRYQDCVKSNNDRVDVFFELGCGSVLKGLNKRLSNKPTISVGDNKGLDEAIEFLEEYV