Study : Lmo1713 (atomeDB@cbs.cnrs.fr)


Main Binding Site Prediction:


Binding Site Prediction

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Binding Site Number :C4_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 C4_S1
Complex: ANP_A_3(1JCG) / Model_4(1JCG/A) = [7.0] Download747.8016.56MFGTTTIGIDLGTANILVYSKEKGIILNEPSVVALNTNDGTVLAIGQEAKEMIGKTPTSISAVRPMKDGVIADFDLTSGLLREIMRRISVSGVRKPNVVVCTPTGATSVERRAISDAVRSTGARSVVLIEEPVAAAIGADLPVAEPVANVIVDIGGGTSEIAIISYGGVVSSTSIRTGGDHMDEEIIQYIRKNYNLLIGQTTAERIKMELGYAPIEHVTQTADIRGRDLLTGLPKTIQVSSTEIQSALAETLQRILEAIRNTLELCPPELSGDIVDRGIILSGGGSLLQGFRDWLVEEIDVPVHMAPSPLESVAIGTGRSLVFADKLAKN
Complex: ADP_A_3(4CZL) / Model_2(4CZL/A) = [7.4] Download885.5320.28MFGTTTIGIDLGTANILVYSKEKGIILNEPSVVALNTNDGTVLAIGQEAKEMIGKTPTSISAVRPMKDGVIADFDLTSGLLREIMRRISVSGVRKPNVVVCTPTGATSVERRAISDAVRSTGARSVVLIEEPVAAAIGADLPVAEPVANVIVDIGGGTSEIAIISYGGVVSSTSIRTGGDHMDEEIIQYIRKNYNLLIGQTTAERIKMELGYAPIEHVTQTADIRGRDLLTGLPKTIQVSSTEIQSALAETLQRILEAIRNTLELCPPELSGDIVDRGIILSGGGSLLQGFRDWLVEEIDVPVHMAPSPLESVAIGTGRSLVFADKLAKN
Complex: ANP_B_6(4CZJ) / Model_21(4CZJ/B) = [8.6] Download836.8918.92MFGTTTIGIDLGTANILVYSKEKGIILNEPSVVALNTNDGTVLAIGQEAKEMIGKTPTSISAVRPMKDGVIADFDLTSGLLREIMRRISVSGVRKPNVVVCTPTGATSVERRAISDAVRSTGARSVVLIEEPVAAAIGADLPVAEPVANVIVDIGGGTSEIAIISYGGVVSSTSIRTGGDHMDEEIIQYIRKNYNLLIGQTTAERIKMELGYAPIEHVTQTADIRGRDLLTGLPKTIQVSSTEIQSALAETLQRILEAIRNTLELCPPELSGDIVDRGIILSGGGSLLQGFRDWLVEEIDVPVHMAPSPLESVAIGTGRSLVFADKLAKN
Consensus
[pKd Mean = 7.67]
-823
(s=57)
18
(s=1)
MFGTTTIGIDLGTANILVYSKEKGIILNEPSVVALNTNDGTVLAIGQEAKEMIGKTPTSISAVRPMKDGVIADFDLTSGLLREIMRRISVSGVRKPNVVVCTPTGATSVERRAISDAVRSTGARSVVLIEEPVAAAIGADLPVAEPVANVIVDIGGGTSEIAIISYGGVVSSTSIRTGGDHMDEEIIQYIRKNYNLLIGQTTAERIKMELGYAPIEHVTQTADIRGRDLLTGLPKTIQVSSTEIQSALAETLQRILEAIRNTLELCPPELSGDIVDRGIILSGGGSLLQGFRDWLVEEIDVPVHMAPSPLESVAIGTGRSLVFADKLAKN