Study : bsu30760 (atomeDB@cbs.cnrs.fr)


Main Binding Site Prediction:


Binding Site Prediction

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Binding Site Number :C1_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 C1_S1
Complex: ADP_A_5(2Q0H) / Model_41(2Q0H/A) = [3.5] Download711.7717.69MFPVELDNVTVAYHKKPVLQDISLQVPEGKLIGIIGPNGAGKSTLIKTILGLVPRASGDISIYGKDYKDQRTRIGYVPQRGSVDWDFPTSPLDVVLMGRYGRIGLLKRPKKADVEMAKAALTKVGMHDYAKRQISQLSGGQQQRVFLARALCQNADIYFMDEPFAGVDAATERAIMTLLAELKEKGKTVLVVHHDLQTAEDYFDWILLLHLRKIAFGPTENVFTIENLQKTYGGRLTFLKDKVLAEGHKE
Complex: ATP_A_6(4YMV) / Model_28(4YMV/A) = [3.6] Download604.5311.79MFPVELDNVTVAYHKKPVLQDISLQVPEGKLIGIIGPNGAGKSTLIKTILGLVPRASGDISIYGKDYKDQRTRIGYVPQRGSVDWDFPTSPLDVVLMGRYGRIGLLKRPKKADVEMAKAALTKVGMHDYAKRQISQLSGGQQQRVFLARALCQNADIYFMDEPFAGVDAATERAIMTLLAELKEKGKTVLVVHHDLQTAEDYFDWILLLHLRKIAFGPTENVFTIENLQKTYGGRLTFLKDKVLAEGHKE
Complex: AGS_B_6(3C4J) / Model_38(3C4J/B) = [3.7] Download874.9817.47MFPVELDNVTVAYHKKPVLQDISLQVPEGKLIGIIGPNGAGKSTLIKTILGLVPRASGDISIYGKDYKDQRTRIGYVPQRGSVDWDFPTSPLDVVLMGRYGRIGLLKRPKKADVEMAKAALTKVGMHDYAKRQISQLSGGQQQRVFLARALCQNADIYFMDEPFAGVDAATERAIMTLLAELKEKGKTVLVVHHDLQTAEDYFDWILLLHLRKIAFGPTENVFTIENLQKTYGGRLTFLKDKVLAEGHKE
Complex: ANP_K_6(3C41) / Model_36(3C41/K) = [3.8] Download843.4915.75MFPVELDNVTVAYHKKPVLQDISLQVPEGKLIGIIGPNGAGKSTLIKTILGLVPRASGDISIYGKDYKDQRTRIGYVPQRGSVDWDFPTSPLDVVLMGRYGRIGLLKRPKKADVEMAKAALTKVGMHDYAKRQISQLSGGQQQRVFLARALCQNADIYFMDEPFAGVDAATERAIMTLLAELKEKGKTVLVVHHDLQTAEDYFDWILLLHLRKIAFGPTENVFTIENLQKTYGGRLTFLKDKVLAEGHKE
Complex: ADP_B_6(2OLJ) / Model_50(2OLJ/B) = [3.8] Download792.3017.69MFPVELDNVTVAYHKKPVLQDISLQVPEGKLIGIIGPNGAGKSTLIKTILGLVPRASGDISIYGKDYKDQRTRIGYVPQRGSVDWDFPTSPLDVVLMGRYGRIGLLKRPKKADVEMAKAALTKVGMHDYAKRQISQLSGGQQQRVFLARALCQNADIYFMDEPFAGVDAATERAIMTLLAELKEKGKTVLVVHHDLQTAEDYFDWILLLHLRKIAFGPTENVFTIENLQKTYGGRLTFLKDKVLAEGHKE
Consensus
[pKd Mean = 3.68]
-765
(s=97)
16
(s=2)
MFPVELDNVTVAYHKKPVLQDISLQVPEGKLIGIIGPNGAGKSTLIKTILGLVPRASGDISIYGKDYKDQRTRIGYVPQRGSVDWDFPTSPLDVVLMGRYGRIGLLKRPKKADVEMAKAALTKVGMHDYAKRQISQLSGGQQQRVFLARALCQNADIYFMDEPFAGVDAATERAIMTLLAELKEKGKTVLVVHHDLQTAEDYFDWILLLHLRKIAFGPTENVFTIENLQKTYGGRLTFLKDKVLAEGHKE