Study : bsu07990 (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] : 2 (5 maxi)

Complexes [Theoretical pKd]FileVolume (A3)
(FPocket)
Hydrophobicity
Score(FPocket)
Contacts Ligand/Receptor [<4A] in Site C1_S1
Complex: EDO_A_5(3OBB) / Model_70(3OBB/A) = [3.1] Download756.9950.42MKIAVIGLGNMGQPIARNVLQAGYELTVYNRTKQKTEDLVTEGAQAADTPRLAAKSADIVITMLADDDSVSTVTFGEDGLLEGLAENGIHISMSTISVEFSEKLAAAHAEKGQFFLAAPVLGRPDAAAKAALRIITAGPAEAKQAAKPLLDSLSQQIFDVGEESKTANAAKISINFLLVSMLEALSESFLMMEKYGLEQKQFLEIASALFGSPVYQNYGTIMAEQKFEPAGFKMSLGLKDTNLALAAAKRVSANLPLAELAKSHFESGIEKGFGDLDWAALIKCIK
Complex: NAP_A_2(3WS7) / Model_83(3WS7/A) = [11.7] Download1259.2928.67MKIAVIGLGNMGQPIARNVLQAGYELTVYNRTKQKTEDLVTEGAQAADTPRLAAKSADIVITMLADDDSVSTVTFGEDGLLEGLAENGIHISMSTISVEFSEKLAAAHAEKGQFFLAAPVLGRPDAAAKAALRIITAGPAEAKQAAKPLLDSLSQQIFDVGEESKTANAAKISINFLLVSMLEALSESFLMMEKYGLEQKQFLEIASALFGSPVYQNYGTIMAEQKFEPAGFKMSLGLKDTNLALAAAKRVSANLPLAELAKSHFESGIEKGFGDLDWAALIKCIK
Consensus
[pKd Mean = 7.40]
-1008
(s=251)
39
(s=10)
MKIAVIGLGNMGQPIARNVLQAGYELTVYNRTKQKTEDLVTEGAQAADTPRLAAKSADIVITMLADDDSVSTVTFGEDGLLEGLAENGIHISMSTISVEFSEKLAAAHAEKGQFFLAAPVLGRPDAAAKAALRIITAGPAEAKQAAKPLLDSLSQQIFDVGEESKTANAAKISINFLLVSMLEALSESFLMMEKYGLEQKQFLEIASALFGSPVYQNYGTIMAEQKFEPAGFKMSLGLKDTNLALAAAKRVSANLPLAELAKSHFESGIEKGFGDLDWAALIKCIK