Study : bsu07030 (atomeDB@cbs.cnrs.fr)


Main Binding Site Prediction:


Binding Site Prediction

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Binding Site Number :C7_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 C7_S1
Complex: ACY_A_5(1OQ1) / Model_1(1OQ1/A) = [3.6] Download334.2727.82MYKEGACLYRNPLRSKSDVKDWRMEGGGQISFDDHSLHLSHVQDEAHFVFWCPETFPDGIIVTWDFSPIEQPGLCMLFFAAAGIRGEDLFDPSLRKRTGTYPEYHSGDINALHLSYFRRKYAEERAFRTCNLRKSRGFHLAAMGADPLPSPDDADSPYRMKLIKDKGYVHFSINGLPILEWMDDGSTYGPVLTKGKIGFRQMAPMKAVYRDFAVHQAVRR
Complex: ACY_A_5(1OQ1) / Model_6(1OQ1/A) = [3.6] Download399.8536.10MYKEGACLYRNPLRSKSDVKDWRMEGGGQISFDDHSLHLSHVQDEAHFVFWCPETFPDGIIVTWDFSPIEQPGLCMLFFAAAGIRGEDLFDPSLRKRTGTYPEYHSGDINALHLSYFRRKYAEERAFRTCNLRKSRGFHLAAMGADPLPSPDDADSPYRMKLIKDKGYVHFSINGLPILEWMDDGSTYGPVLTKGKIGFRQMAPMKAVYRDFAVHQAVRR
Consensus
[pKd Mean = 3.60]
-367
(s=32)
31
(s=4)
MYKEGACLYRNPLRSKSDVKDWRMEGGGQISFDDHSLHLSHVQDEAHFVFWCPETFPDGIIVTWDFSPIEQPGLCMLFFAAAGIRGEDLFDPSLRKRTGTYPEYHSGDINALHLSYFRRKYAEERAFRTCNLRKSRGFHLAAMGADPLPSPDDADSPYRMKLIKDKGYVHFSINGLPILEWMDDGSTYGPVLTKGKIGFRQMAPMKAVYRDFAVHQAVRR