Study : Lmo0862 (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] : 5 (5 maxi)

Complexes [Theoretical pKd]FileVolume (A3)
(FPocket)
Hydrophobicity
Score(FPocket)
Contacts Ligand/Receptor [<4A] in Site C1_S1
Complex: TEU_B_6(4H8U) / Model_40(4H8U/B) = [3.1] Download666.8615.11LEFWRRSVFYEIYMKSFQDSNGDGLGDFKGLTSRLDYLVDLGIDGIWLTPFYPSPQVDNGYDVSDYCDINPDYGDMTDFRAFMKAADARGIKVIIDLVLNHSSTEHTWFKESRSSKTNPKRDYYIWREKPNNWESFFGGSAWEKDELTGEYYYHSFAKEQADLNWANEAVRAEMEQVLAFWLNEGVAGFRLDVINNLTLVLEFPDNPVASGEMEHVYDRNQSGLEQALEDIASFCRKERDVFLVGEISSDKLPEIARYSSKKMLDVTFNFNFGSVDQLDAKSVFTTLNEMETALNEGQWPTLFFGSHDMSRFRSRLASGDIVKTQLLAFLMLTAKGVPFIYYGEEVGMPDLTFSSVKEMRDIQGTAAYYQALQTGTDEKQALEIAIEKTRDKARGPMIFPDGKPFTLGEPWIKMATLPEEEARMMWDFYQALLAFRKENDFKEMEYTFLKLDGEVLSYQRGEFIFLLHFGEEEITYPLQGNYQLVFGEAMMVENGIRMGAHTGIALRVEE
Complex: GOL_A_3(4FLQ) / Model_98(4FLQ/A) = [3.1] Download22.808.50LEFWRRSVFYEIYMKSFQDSNGDGLGDFKGLTSRLDYLVDLGIDGIWLTPFYPSPQVDNGYDVSDYCDINPDYGDMTDFRAFMKAADARGIKVIIDLVLNHSSTEHTWFKESRSSKTNPKRDYYIWREKPNNWESFFGGSAWEKDELTGEYYYHSFAKEQADLNWANEAVRAEMEQVLAFWLNEGVAGFRLDVINNLTLVLEFPDNPVASGEMEHVYDRNQSGLEQALEDIASFCRKERDVFLVGEISSDKLPEIARYSSKKMLDVTFNFNFGSVDQLDAKSVFTTLNEMETALNEGQWPTLFFGSHDMSRFRSRLASGDIVKTQLLAFLMLTAKGVPFIYYGEEVGMPDLTFSSVKEMRDIQGTAAYYQALQTGTDEKQALEIAIEKTRDKARGPMIFPDGKPFTLGEPWIKMATLPEEEARMMWDFYQALLAFRKENDFKEMEYTFLKLDGEVLSYQRGEFIFLLHFGEEEITYPLQGNYQLVFGEAMMVENGIRMGAHTGIALRVEE
Complex: TRS_A_2(4M8U) / Model_45(4M8U/A) = [3.1] Download296.164.75LEFWRRSVFYEIYMKSFQDSNGDGLGDFKGLTSRLDYLVDLGIDGIWLTPFYPSPQVDNGYDVSDYCDINPDYGDMTDFRAFMKAADARGIKVIIDLVLNHSSTEHTWFKESRSSKTNPKRDYYIWREKPNNWESFFGGSAWEKDELTGEYYYHSFAKEQADLNWANEAVRAEMEQVLAFWLNEGVAGFRLDVINNLTLVLEFPDNPVASGEMEHVYDRNQSGLEQALEDIASFCRKERDVFLVGEISSDKLPEIARYSSKKMLDVTFNFNFGSVDQLDAKSVFTTLNEMETALNEGQWPTLFFGSHDMSRFRSRLASGDIVKTQLLAFLMLTAKGVPFIYYGEEVGMPDLTFSSVKEMRDIQGTAAYYQALQTGTDEKQALEIAIEKTRDKARGPMIFPDGKPFTLGEPWIKMATLPEEEARMMWDFYQALLAFRKENDFKEMEYTFLKLDGEVLSYQRGEFIFLLHFGEEEITYPLQGNYQLVFGEAMMVENGIRMGAHTGIALRVEE
Complex: GOL_A_3(4HOW) / Model_47(4HOW/A) = [3.1] Download229.401.80LEFWRRSVFYEIYMKSFQDSNGDGLGDFKGLTSRLDYLVDLGIDGIWLTPFYPSPQVDNGYDVSDYCDINPDYGDMTDFRAFMKAADARGIKVIIDLVLNHSSTEHTWFKESRSSKTNPKRDYYIWREKPNNWESFFGGSAWEKDELTGEYYYHSFAKEQADLNWANEAVRAEMEQVLAFWLNEGVAGFRLDVINNLTLVLEFPDNPVASGEMEHVYDRNQSGLEQALEDIASFCRKERDVFLVGEISSDKLPEIARYSSKKMLDVTFNFNFGSVDQLDAKSVFTTLNEMETALNEGQWPTLFFGSHDMSRFRSRLASGDIVKTQLLAFLMLTAKGVPFIYYGEEVGMPDLTFSSVKEMRDIQGTAAYYQALQTGTDEKQALEIAIEKTRDKARGPMIFPDGKPFTLGEPWIKMATLPEEEARMMWDFYQALLAFRKENDFKEMEYTFLKLDGEVLSYQRGEFIFLLHFGEEEITYPLQGNYQLVFGEAMMVENGIRMGAHTGIALRVEE
Complex: BGC_A_2(1S46) / Model_88(1S46/A) = [3.1] Download216.2026.30LEFWRRSVFYEIYMKSFQDSNGDGLGDFKGLTSRLDYLVDLGIDGIWLTPFYPSPQVDNGYDVSDYCDINPDYGDMTDFRAFMKAADARGIKVIIDLVLNHSSTEHTWFKESRSSKTNPKRDYYIWREKPNNWESFFGGSAWEKDELTGEYYYHSFAKEQADLNWANEAVRAEMEQVLAFWLNEGVAGFRLDVINNLTLVLEFPDNPVASGEMEHVYDRNQSGLEQALEDIASFCRKERDVFLVGEISSDKLPEIARYSSKKMLDVTFNFNFGSVDQLDAKSVFTTLNEMETALNEGQWPTLFFGSHDMSRFRSRLASGDIVKTQLLAFLMLTAKGVPFIYYGEEVGMPDLTFSSVKEMRDIQGTAAYYQALQTGTDEKQALEIAIEKTRDKARGPMIFPDGKPFTLGEPWIKMATLPEEEARMMWDFYQALLAFRKENDFKEMEYTFLKLDGEVLSYQRGEFIFLLHFGEEEITYPLQGNYQLVFGEAMMVENGIRMGAHTGIALRVEE
Consensus
[pKd Mean = 3.10]
-286
(s=210)
11
(s=8)
LEFWRRSVFYEIYMKSFQDSNGDGLGDFKGLTSRLDYLVDLGIDGIWLTPFYPSPQVDNGYDVSDYCDINPDYGDMTDFRAFMKAADARGIKVIIDLVLNHSSTEHTWFKESRSSKTNPKRDYYIWREKPNNWESFFGGSAWEKDELTGEYYYHSFAKEQADLNWANEAVRAEMEQVLAFWLNEGVAGFRLDVINNLTLVLEFPDNPVASGEMEHVYDRNQSGLEQALEDIASFCRKERDVFLVGEISSDKLPEIARYSSKKMLDVTFNFNFGSVDQLDAKSVFTTLNEMETALNEGQWPTLFFGSHDMSRFRSRLASGDIVKTQLLAFLMLTAKGVPFIYYGEEVGMPDLTFSSVKEMRDIQGTAAYYQALQTGTDEKQALEIAIEKTRDKARGPMIFPDGKPFTLGEPWIKMATLPEEEARMMWDFYQALLAFRKENDFKEMEYTFLKLDGEVLSYQRGEFIFLLHFGEEEITYPLQGNYQLVFGEAMMVENGIRMGAHTGIALRVEE