Study : bsu22170 (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] : 3 (5 maxi)

Complexes [Theoretical pKd]FileVolume (A3)
(FPocket)
Hydrophobicity
Score(FPocket)
Contacts Ligand/Receptor [<4A] in Site C2_S1
Complex: GTP_A_2(3LDU) / Model_3(3LDU/A) = [6.0] Download886.2829.00MKKYTLIATAPMGIEAVVAKEVRDLGYECKVDNGKVIFEGDALAICRANLWLRTADRIKVQVASFKAKTFDELFEKTKAINWRSFIPENGKFPVIGKSVKSTLASVPDCQRIVKKAIVEKLKLQSGKANDWIEETGAEYKVEISLLKDQALITLDSSGTGLHKRGYRVDQGGAPIKETLAAALVQLTNWTPDRPFVDPFCGSGTIAIEAALIGQNIAPGFNRDFVSEDWEWIGKDLWNKARLEVEEKANYDQPLTIFASDIDHRMVQIAKENAEEAGLGDLIQFKQMQVKDFTTNLEFGVIVGNPPYGERLGEKKAVEQMYKEMGQAFEPLDTWSVYMLTSNENFEEAYGRKATKKRKLFNGFIKTDYYQYWSKVRPQRKKTENA
Complex: GTP_A_2(3LDU) / Model_41(3LDU/A) = [6.0] Download986.9829.00MKKYTLIATAPMGIEAVVAKEVRDLGYECKVDNGKVIFEGDALAICRANLWLRTADRIKVQVASFKAKTFDELFEKTKAINWRSFIPENGKFPVIGKSVKSTLASVPDCQRIVKKAIVEKLKLQSGKANDWIEETGAEYKVEISLLKDQALITLDSSGTGLHKRGYRVDQGGAPIKETLAAALVQLTNWTPDRPFVDPFCGSGTIAIEAALIGQNIAPGFNRDFVSEDWEWIGKDLWNKARLEVEEKANYDQPLTIFASDIDHRMVQIAKENAEEAGLGDLIQFKQMQVKDFTTNLEFGVIVGNPPYGERLGEKKAVEQMYKEMGQAFEPLDTWSVYMLTSNENFEEAYGRKATKKRKLFNGFIKTDYYQYWSKVRPQRKKTENA
Complex: SAH_A_2(3LDG) / Model_40(3LDG/A) = [6.3] Download941.1931.20MKKYTLIATAPMGIEAVVAKEVRDLGYECKVDNGKVIFEGDALAICRANLWLRTADRIKVQVASFKAKTFDELFEKTKAINWRSFIPENGKFPVIGKSVKSTLASVPDCQRIVKKAIVEKLKLQSGKANDWIEETGAEYKVEISLLKDQALITLDSSGTGLHKRGYRVDQGGAPIKETLAAALVQLTNWTPDRPFVDPFCGSGTIAIEAALIGQNIAPGFNRDFVSEDWEWIGKDLWNKARLEVEEKANYDQPLTIFASDIDHRMVQIAKENAEEAGLGDLIQFKQMQVKDFTTNLEFGVIVGNPPYGERLGEKKAVEQMYKEMGQAFEPLDTWSVYMLTSNENFEEAYGRKATKKRKLFNGFIKTDYYQYWSKVRPQRKKTENA
Consensus
[pKd Mean = 6.10]
-938
(s=41)
29
(s=1)
MKKYTLIATAPMGIEAVVAKEVRDLGYECKVDNGKVIFEGDALAICRANLWLRTADRIKVQVASFKAKTFDELFEKTKAINWRSFIPENGKFPVIGKSVKSTLASVPDCQRIVKKAIVEKLKLQSGKANDWIEETGAEYKVEISLLKDQALITLDSSGTGLHKRGYRVDQGGAPIKETLAAALVQLTNWTPDRPFVDPFCGSGTIAIEAALIGQNIAPGFNRDFVSEDWEWIGKDLWNKARLEVEEKANYDQPLTIFASDIDHRMVQIAKENAEEAGLGDLIQFKQMQVKDFTTNLEFGVIVGNPPYGERLGEKKAVEQMYKEMGQAFEPLDTWSVYMLTSNENFEEAYGRKATKKRKLFNGFIKTDYYQYWSKVRPQRKKTENA