Study : Rv3119 (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: FMT_F_21(1NVJ) / Model_25(1NVJ/F) = [3.1] Download266.3423.67MANVVAEGAYPYCRLTDQPLSVDEVLAAVSGPEQGGIVIFVGNVRDHNAGHDVTRLFYEAYPPMVIRTLMSIIGRCEDKAEGVRVAVAHRTGELQIGDAAVVIGASAPHRAEAFDAARMCIELLKQEVPIWKKEFSSTGAEWVGDRP
Complex: FMT_D_24(1NVJ) / Model_27(1NVJ/D) = [3.2] Download243.2425.31MANVVAEGAYPYCRLTDQPLSVDEVLAAVSGPEQGGIVIFVGNVRDHNAGHDVTRLFYEAYPPMVIRTLMSIIGRCEDKAEGVRVAVAHRTGELQIGDAAVVIGASAPHRAEAFDAARMCIELLKQEVPIWKKEFSSTGAEWVGDRP
Complex: FMT_B_23(1NVJ) / Model_29(1NVJ/B) = [3.2] Download247.7743.89MANVVAEGAYPYCRLTDQPLSVDEVLAAVSGPEQGGIVIFVGNVRDHNAGHDVTRLFYEAYPPMVIRTLMSIIGRCEDKAEGVRVAVAHRTGELQIGDAAVVIGASAPHRAEAFDAARMCIELLKQEVPIWKKEFSSTGAEWVGDRP
Complex: 8CS_H_11(2QIE) / Model_23(2QIE/H) = [3.8] Download942.9028.14MANVVAEGAYPYCRLTDQPLSVDEVLAAVSGPEQGGIVIFVGNVRDHNAGHDVTRLFYEAYPPMVIRTLMSIIGRCEDKAEGVRVAVAHRTGELQIGDAAVVIGASAPHRAEAFDAARMCIELLKQEVPIWKKEFSSTGAEWVGDRP
Complex: 8CS_A_9(2QIE) / Model_3(2QIE/A) = [3.9] Download1211.2228.14MANVVAEGAYPYCRLTDQPLSVDEVLAAVSGPEQGGIVIFVGNVRDHNAGHDVTRLFYEAYPPMVIRTLMSIIGRCEDKAEGVRVAVAHRTGELQIGDAAVVIGASAPHRAEAFDAARMCIELLKQEVPIWKKEFSSTGAEWVGDRP
Consensus
[pKd Mean = 3.44]
-582
(s=412)
29
(s=7)
MANVVAEGAYPYCRLTDQPLSVDEVLAAVSGPEQGGIVIFVGNVRDHNAGHDVTRLFYEAYPPMVIRTLMSIIGRCEDKAEGVRVAVAHRTGELQIGDAAVVIGASAPHRAEAFDAARMCIELLKQEVPIWKKEFSSTGAEWVGDRP