Study : PA5141 (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] : 5 (5 maxi)

Complexes [Theoretical pKd]FileVolume (A3)
(FPocket)
Hydrophobicity
Score(FPocket)
Contacts Ligand/Receptor [<4A] in Site C3_S1
Complex: AMZ_A_3(4TX9) / Model_8(4TX9/A) = [4.4] Download674.4926.23MLIIPAIDLKDGACVRLRQGLMEDATVFSDDPVAMAAKWVDGGCRRLHLVDLNGAFEGKPVNGEVVTAIARRYPDLPIQIGGGIRSLETIEHYVRAGVSYVIIGTKAVKQPEFVGEACRAFPGKVIVGLDAKDGFVATDGWAEVSEVQVIDLARRFEADGVSAIVYTDISKDGMMQGCNVEATAALANATRIPVIASGGIHNLGDIQKLLDARTPGIIGAITGRAIYEGTLDVAEAQALCDNFKA
Complex: 137_A_7(2Y85) / Model_14(2Y85/A) = [5.3] Download984.9017.50MLIIPAIDLKDGACVRLRQGLMEDATVFSDDPVAMAAKWVDGGCRRLHLVDLNGAFEGKPVNGEVVTAIARRYPDLPIQIGGGIRSLETIEHYVRAGVSYVIIGTKAVKQPEFVGEACRAFPGKVIVGLDAKDGFVATDGWAEVSEVQVIDLARRFEADGVSAIVYTDISKDGMMQGCNVEATAALANATRIPVIASGGIHNLGDIQKLLDARTPGIIGAITGRAIYEGTLDVAEAQALCDNFKA
Complex: 137_D_21(2Y85) / Model_25(2Y85/D) = [5.4] Download807.2415.32MLIIPAIDLKDGACVRLRQGLMEDATVFSDDPVAMAAKWVDGGCRRLHLVDLNGAFEGKPVNGEVVTAIARRYPDLPIQIGGGIRSLETIEHYVRAGVSYVIIGTKAVKQPEFVGEACRAFPGKVIVGLDAKDGFVATDGWAEVSEVQVIDLARRFEADGVSAIVYTDISKDGMMQGCNVEATAALANATRIPVIASGGIHNLGDIQKLLDARTPGIIGAITGRAIYEGTLDVAEAQALCDNFKA
Complex: 137_C_16(2Y85) / Model_26(2Y85/C) = [5.5] Download774.0814.60MLIIPAIDLKDGACVRLRQGLMEDATVFSDDPVAMAAKWVDGGCRRLHLVDLNGAFEGKPVNGEVVTAIARRYPDLPIQIGGGIRSLETIEHYVRAGVSYVIIGTKAVKQPEFVGEACRAFPGKVIVGLDAKDGFVATDGWAEVSEVQVIDLARRFEADGVSAIVYTDISKDGMMQGCNVEATAALANATRIPVIASGGIHNLGDIQKLLDARTPGIIGAITGRAIYEGTLDVAEAQALCDNFKA
Complex: GUO_A_2(5AHF) / Model_10(5AHF/A) = [6.4] Download1471.7416.40MLIIPAIDLKDGACVRLRQGLMEDATVFSDDPVAMAAKWVDGGCRRLHLVDLNGAFEGKPVNGEVVTAIARRYPDLPIQIGGGIRSLETIEHYVRAGVSYVIIGTKAVKQPEFVGEACRAFPGKVIVGLDAKDGFVATDGWAEVSEVQVIDLARRFEADGVSAIVYTDISKDGMMQGCNVEATAALANATRIPVIASGGIHNLGDIQKLLDARTPGIIGAITGRAIYEGTLDVAEAQALCDNFKA
Consensus
[pKd Mean = 5.40]
-942
(s=282)
18
(s=4)
MLIIPAIDLKDGACVRLRQGLMEDATVFSDDPVAMAAKWVDGGCRRLHLVDLNGAFEGKPVNGEVVTAIARRYPDLPIQIGGGIRSLETIEHYVRAGVSYVIIGTKAVKQPEFVGEACRAFPGKVIVGLDAKDGFVATDGWAEVSEVQVIDLARRFEADGVSAIVYTDISKDGMMQGCNVEATAALANATRIPVIASGGIHNLGDIQKLLDARTPGIIGAITGRAIYEGTLDVAEAQALCDNFKA