Study : Lmo1722 (atomeDB@cbs.cnrs.fr)


Main Binding Site Prediction:


Binding Site Prediction

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Binding Site Number :C7_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 C7_S1
Complex: 8OP_B_6(3MWK) / Model_40(3MWK/B) = [4.2] Download775.0531.95MTESNIPSFWAEKWQEHGYETPTEIQSAMYQPIKDGADVLAVSPTGTGKTVAYALPTLEKIEAIPKTQWLVLAPSHELVMQITEVIRSWLPSDDLTVISLIGGANVKRQIEKLKKKPQIIVASPGRALELIKQKKIKMHEIKTITLDECDQLLRQENFKSTLEIVESAVRDRQLTLVSATKLENPDMFFAQTENTPVMLEVTAKPEELTNVEHLYMDVESRDKATLLRRISHIKDMRGLVFVKDKPRMEILLEKLHYDKVKAAGIHGEIRKEKRKKYLDDFKKGTLTYLIVTDVAARGLDIEDLPYVIHYDLAASEKEYTHRSGRTGRMGKSGTVITFANPREIRTLKQYLTIHNLKGKQVRFYQGKLLDGAVPENKIAKKASRPPKQVQKSKKDDGKKPFRKDKPTGAAGGRKEKPTNSAKPTRNKPNKFNKKPNNFKKS
Complex: 8OX_B_6(3MWL) / Model_38(3MWL/B) = [4.2] Download734.5729.90MTESNIPSFWAEKWQEHGYETPTEIQSAMYQPIKDGADVLAVSPTGTGKTVAYALPTLEKIEAIPKTQWLVLAPSHELVMQITEVIRSWLPSDDLTVISLIGGANVKRQIEKLKKKPQIIVASPGRALELIKQKKIKMHEIKTITLDECDQLLRQENFKSTLEIVESAVRDRQLTLVSATKLENPDMFFAQTENTPVMLEVTAKPEELTNVEHLYMDVESRDKATLLRRISHIKDMRGLVFVKDKPRMEILLEKLHYDKVKAAGIHGEIRKEKRKKYLDDFKKGTLTYLIVTDVAARGLDIEDLPYVIHYDLAASEKEYTHRSGRTGRMGKSGTVITFANPREIRTLKQYLTIHNLKGKQVRFYQGKLLDGAVPENKIAKKASRPPKQVQKSKKDDGKKPFRKDKPTGAAGGRKEKPTNSAKPTRNKPNKFNKKPNNFKKS
Complex: 8OD_A_5(3NBF) / Model_37(3NBF/A) = [4.3] Download698.3241.05MTESNIPSFWAEKWQEHGYETPTEIQSAMYQPIKDGADVLAVSPTGTGKTVAYALPTLEKIEAIPKTQWLVLAPSHELVMQITEVIRSWLPSDDLTVISLIGGANVKRQIEKLKKKPQIIVASPGRALELIKQKKIKMHEIKTITLDECDQLLRQENFKSTLEIVESAVRDRQLTLVSATKLENPDMFFAQTENTPVMLEVTAKPEELTNVEHLYMDVESRDKATLLRRISHIKDMRGLVFVKDKPRMEILLEKLHYDKVKAAGIHGEIRKEKRKKYLDDFKKGTLTYLIVTDVAARGLDIEDLPYVIHYDLAASEKEYTHRSGRTGRMGKSGTVITFANPREIRTLKQYLTIHNLKGKQVRFYQGKLLDGAVPENKIAKKASRPPKQVQKSKKDDGKKPFRKDKPTGAAGGRKEKPTNSAKPTRNKPNKFNKKPNNFKKS
Complex: 8OP_C_10(3NBF) / Model_35(3NBF/C) = [4.8] Download1111.5627.52MTESNIPSFWAEKWQEHGYETPTEIQSAMYQPIKDGADVLAVSPTGTGKTVAYALPTLEKIEAIPKTQWLVLAPSHELVMQITEVIRSWLPSDDLTVISLIGGANVKRQIEKLKKKPQIIVASPGRALELIKQKKIKMHEIKTITLDECDQLLRQENFKSTLEIVESAVRDRQLTLVSATKLENPDMFFAQTENTPVMLEVTAKPEELTNVEHLYMDVESRDKATLLRRISHIKDMRGLVFVKDKPRMEILLEKLHYDKVKAAGIHGEIRKEKRKKYLDDFKKGTLTYLIVTDVAARGLDIEDLPYVIHYDLAASEKEYTHRSGRTGRMGKSGTVITFANPREIRTLKQYLTIHNLKGKQVRFYQGKLLDGAVPENKIAKKASRPPKQVQKSKKDDGKKPFRKDKPTGAAGGRKEKPTNSAKPTRNKPNKFNKKPNNFKKS
Complex: AMP_A_3(3BER) / Model_44(3BER/A) = [4.8] Download1165.0327.88MTESNIPSFWAEKWQEHGYETPTEIQSAMYQPIKDGADVLAVSPTGTGKTVAYALPTLEKIEAIPKTQWLVLAPSHELVMQITEVIRSWLPSDDLTVISLIGGANVKRQIEKLKKKPQIIVASPGRALELIKQKKIKMHEIKTITLDECDQLLRQENFKSTLEIVESAVRDRQLTLVSATKLENPDMFFAQTENTPVMLEVTAKPEELTNVEHLYMDVESRDKATLLRRISHIKDMRGLVFVKDKPRMEILLEKLHYDKVKAAGIHGEIRKEKRKKYLDDFKKGTLTYLIVTDVAARGLDIEDLPYVIHYDLAASEKEYTHRSGRTGRMGKSGTVITFANPREIRTLKQYLTIHNLKGKQVRFYQGKLLDGAVPENKIAKKASRPPKQVQKSKKDDGKKPFRKDKPTGAAGGRKEKPTNSAKPTRNKPNKFNKKPNNFKKS
Consensus
[pKd Mean = 4.46]
-896
(s=199)
31
(s=4)
MTESNIPSFWAEKWQEHGYETPTEIQSAMYQPIKDGADVLAVSPTGTGKTVAYALPTLEKIEAIPKTQWLVLAPSHELVMQITEVIRSWLPSDDLTVISLIGGANVKRQIEKLKKKPQIIVASPGRALELIKQKKIKMHEIKTITLDECDQLLRQENFKSTLEIVESAVRDRQLTLVSATKLENPDMFFAQTENTPVMLEVTAKPEELTNVEHLYMDVESRDKATLLRRISHIKDMRGLVFVKDKPRMEILLEKLHYDKVKAAGIHGEIRKEKRKKYLDDFKKGTLTYLIVTDVAARGLDIEDLPYVIHYDLAASEKEYTHRSGRTGRMGKSGTVITFANPREIRTLKQYLTIHNLKGKQVRFYQGKLLDGAVPENKIAKKASRPPKQVQKSKKDDGKKPFRKDKPTGAAGGRKEKPTNSAKPTRNKPNKFNKKPNNFKKS