Study : bsu14480 (atomeDB@cbs.cnrs.fr)


Main Binding Site Prediction:


Binding Site Prediction

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Binding Site Number :C3_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 C3_S1
Complex: CHAIN_E_1(2K1N) / Model_16(2K1N/C) = [4.8] Download--MKSIGVVRKVDELGRIVMPIELRRALDIAIKDSIEFFVDGDKIILKKYKPHGVCLMTGEITSENKEYGNGKITLSPEGAQLLLEEIQAALKE
Complex: CHAIN_E_1(2K1N) / Model_15(2K1N/D) = [4.9] Download--MKSIGVVRKVDELGRIVMPIELRRALDIAIKDSIEFFVDGDKIILKKYKPHGVCLMTGEITSENKEYGNGKITLSPEGAQLLLEEIQAALKE
Complex: CHAIN_E_1(2K1N) / Model_17(2K1N/B) = [5.6] Download--MKSIGVVRKVDELGRIVMPIELRRALDIAIKDSIEFFVDGDKIILKKYKPHGVCLMTGEITSENKEYGNGKITLSPEGAQLLLEEIQAALKE
Consensus
[pKd Mean = 5.10]
-0
(s=0)
0
(s=0)
MKSIGVVRKVDELGRIVMPIELRRALDIAIKDSIEFFVDGDKIILKKYKPHGVCLMTGEITSENKEYGNGKITLSPEGAQLLLEEIQAALKE