Study : Lmo2544 (atomeDB@cbs.cnrs.fr)


Main Binding Site Prediction:


Binding Site Prediction

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Binding Site Number :C2_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 C2_S1
Complex: THM_A_3(2J9R) / Model_2(2J9R/A) = [5.7] Download413.4533.47MAQLFFRYGSMNSGKTIEILKVAHNYEEQNKTVAIFTSGIDDRDQVGFISSRIGLKREATPIFSDTNIFEIVVNIKPKPNCVLLDESQFLEKEHVFQLAKIVDELNIPVIAYGLKNDFRNELFEGSKYLLLYADKLEEMKTICWFCAKKATMVLRVDDKGKPVYTGEQIMIGGNDHYYPVCRKCHANPPIK
Complex: THM_A_9(2B8T) / Model_3(2B8T/A) = [6.2] Download507.2032.45MAQLFFRYGSMNSGKTIEILKVAHNYEEQNKTVAIFTSGIDDRDQVGFISSRIGLKREATPIFSDTNIFEIVVNIKPKPNCVLLDESQFLEKEHVFQLAKIVDELNIPVIAYGLKNDFRNELFEGSKYLLLYADKLEEMKTICWFCAKKATMVLRVDDKGKPVYTGEQIMIGGNDHYYPVCRKCHANPPIK
Complex: TTP_A_3(2JA1) / Model_1(2JA1/A) = [7.3] Download1565.917.48MAQLFFRYGSMNSGKTIEILKVAHNYEEQNKTVAIFTSGIDDRDQVGFISSRIGLKREATPIFSDTNIFEIVVNIKPKPNCVLLDESQFLEKEHVFQLAKIVDELNIPVIAYGLKNDFRNELFEGSKYLLLYADKLEEMKTICWFCAKKATMVLRVDDKGKPVYTGEQIMIGGNDHYYPVCRKCHANPPIK
Consensus
[pKd Mean = 6.40]
-828
(s=522)
24
(s=12)
MAQLFFRYGSMNSGKTIEILKVAHNYEEQNKTVAIFTSGIDDRDQVGFISSRIGLKREATPIFSDTNIFEIVVNIKPKPNCVLLDESQFLEKEHVFQLAKIVDELNIPVIAYGLKNDFRNELFEGSKYLLLYADKLEEMKTICWFCAKKATMVLRVDDKGKPVYTGEQIMIGGNDHYYPVCRKCHANPPIK