Study : Lmo2184 (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] : 3 (5 maxi)

Complexes [Theoretical pKd]FileVolume (A3)
(FPocket)
Hydrophobicity
Score(FPocket)
Contacts Ligand/Receptor [<4A] in Site C1_S1
Complex: HEM_A_2(2Q8Q) / Model_1(2Q8Q/A) = [9.3] Download692.6629.30MRKMAVISLVLLLFLVGCGKEEAAQKPEQKTDKEPKIVATTVAITEIMDKLDLPLVGIPSSSKKLPKRYADVKETGSPMGPDLEIIRMLKPDMVLSTKTLEADLKSGFEGADLEADFLDFTSIASMQTEIKNLGAKFDRIEEATKLNKDLTSDIDQVKSNVAKKKKPTVLILMGVPGSYLVVTEHAYIGDLVKLAGGENVIKDQKVEYLASNTEYLQSANPDIILRAAHGMPAEVVKMFDEEFKTNDIWKHFDAVKNNRVYDLDENLFGMTASLNAPEALKEMEKMLYDN
Complex: HEM_A_2(2Q8P) / Model_2(2Q8P/A) = [9.4] Download713.0629.30MRKMAVISLVLLLFLVGCGKEEAAQKPEQKTDKEPKIVATTVAITEIMDKLDLPLVGIPSSSKKLPKRYADVKETGSPMGPDLEIIRMLKPDMVLSTKTLEADLKSGFEGADLEADFLDFTSIASMQTEIKNLGAKFDRIEEATKLNKDLTSDIDQVKSNVAKKKKPTVLILMGVPGSYLVVTEHAYIGDLVKLAGGENVIKDQKVEYLASNTEYLQSANPDIILRAAHGMPAEVVKMFDEEFKTNDIWKHFDAVKNNRVYDLDENLFGMTASLNAPEALKEMEKMLYDN
Complex: HEM_A_2(2Q8P) / Model_21(2Q8P/A) = [9.4] Download775.4429.30MRKMAVISLVLLLFLVGCGKEEAAQKPEQKTDKEPKIVATTVAITEIMDKLDLPLVGIPSSSKKLPKRYADVKETGSPMGPDLEIIRMLKPDMVLSTKTLEADLKSGFEGADLEADFLDFTSIASMQTEIKNLGAKFDRIEEATKLNKDLTSDIDQVKSNVAKKKKPTVLILMGVPGSYLVVTEHAYIGDLVKLAGGENVIKDQKVEYLASNTEYLQSANPDIILRAAHGMPAEVVKMFDEEFKTNDIWKHFDAVKNNRVYDLDENLFGMTASLNAPEALKEMEKMLYDN
Consensus
[pKd Mean = 9.37]
-727
(s=35)
29
(s=0)
MRKMAVISLVLLLFLVGCGKEEAAQKPEQKTDKEPKIVATTVAITEIMDKLDLPLVGIPSSSKKLPKRYADVKETGSPMGPDLEIIRMLKPDMVLSTKTLEADLKSGFEGADLEADFLDFTSIASMQTEIKNLGAKFDRIEEATKLNKDLTSDIDQVKSNVAKKKKPTVLILMGVPGSYLVVTEHAYIGDLVKLAGGENVIKDQKVEYLASNTEYLQSANPDIILRAAHGMPAEVVKMFDEEFKTNDIWKHFDAVKNNRVYDLDENLFGMTASLNAPEALKEMEKMLYDN