Study : Lmo0226 (atomeDB@cbs.cnrs.fr)


Main Binding Site Prediction:


Binding Site Prediction

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Binding Site Number :C8_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 C8_S1
Complex: EDO_A_4(3UD5) / Model_30(3UD5/A) = [3.1] Download172.2510.25MAKAFLSIGTNIGERLENLNDALRGLAASNQINITNVSSVYETDAVGYEDQAAFLNIAVEIETDFPPIDLLDFCLALELELGRVRLFKWGPRLIDIDVLLYDDVKTDTEKLKIPHPYMKERAFVMIPLIEISPEKSNLVENPALLEEQGVRKIKNQVNW
Complex: B55_B_4(3QBC) / Model_25(3QBC/B) = [3.3] Download585.6820.35MAKAFLSIGTNIGERLENLNDALRGLAASNQINITNVSSVYETDAVGYEDQAAFLNIAVEIETDFPPIDLLDFCLALELELGRVRLFKWGPRLIDIDVLLYDDVKTDTEKLKIPHPYMKERAFVMIPLIEISPEKSNLVENPALLEEQGVRKIKNQVNW
Complex: EDO_A_3(3UD5) / Model_30(3UD5/A) = [3.3] Download115.406.75MAKAFLSIGTNIGERLENLNDALRGLAASNQINITNVSSVYETDAVGYEDQAAFLNIAVEIETDFPPIDLLDFCLALELELGRVRLFKWGPRLIDIDVLLYDDVKTDTEKLKIPHPYMKERAFVMIPLIEISPEKSNLVENPALLEEQGVRKIKNQVNW
Complex: ADP_A_4(1EQM) / Model_16(1EQM/A) = [3.4] Download1267.8915.00MAKAFLSIGTNIGERLENLNDALRGLAASNQINITNVSSVYETDAVGYEDQAAFLNIAVEIETDFPPIDLLDFCLALELELGRVRLFKWGPRLIDIDVLLYDDVKTDTEKLKIPHPYMKERAFVMIPLIEISPEKSNLVENPALLEEQGVRKIKNQVNW
Complex: TRS_A_4(3HSZ) / Model_50(3HSZ/A) = [3.4] Download786.0012.13MAKAFLSIGTNIGERLENLNDALRGLAASNQINITNVSSVYETDAVGYEDQAAFLNIAVEIETDFPPIDLLDFCLALELELGRVRLFKWGPRLIDIDVLLYDDVKTDTEKLKIPHPYMKERAFVMIPLIEISPEKSNLVENPALLEEQGVRKIKNQVNW
Consensus
[pKd Mean = 3.30]
-585
(s=423)
12
(s=4)
MAKAFLSIGTNIGERLENLNDALRGLAASNQINITNVSSVYETDAVGYEDQAAFLNIAVEIETDFPPIDLLDFCLALELELGRVRLFKWGPRLIDIDVLLYDDVKTDTEKLKIPHPYMKERAFVMIPLIEISPEKSNLVENPALLEEQGVRKIKNQVNW