Study : Lmo2390 (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: FAD_A_4(2ZBW) / Model_38(2ZBW/A) = [12.4] Download506.3937.58LDEKTKIYDITIIGGGPVGLFAAFYAGMRNASVKIIESLPQLGGQLSTLYPEKYIYDIPGYPSVRAQELVNNLIQQMKPFDPTVALEEAVQSVEKQVDGTFEIITKKDTHYSKAIIITAGNGAFEPRRLDLPEAEQYEGTNIHYFINDLSRFSGRRVAVCGGGDSAVDWALMLEKVASSVAIVHRRNAFRAHEHSVNNLEKSSIAIKTPFIPTEVLGNGDKLTHITLQEVKGDTTETLEIDDFIINYGFVSSLGPIKNWGLELERNSIVVNSKMETSIPGIYCAGDICTYDGKVKLIATGFGEAPTAVNNAMNFIDPKTRVQPMHSTSLFE
Complex: FAD_A_4(2ZBW) / Model_3(2ZBW/A) = [12.4] Download429.2537.58LDEKTKIYDITIIGGGPVGLFAAFYAGMRNASVKIIESLPQLGGQLSTLYPEKYIYDIPGYPSVRAQELVNNLIQQMKPFDPTVALEEAVQSVEKQVDGTFEIITKKDTHYSKAIIITAGNGAFEPRRLDLPEAEQYEGTNIHYFINDLSRFSGRRVAVCGGGDSAVDWALMLEKVASSVAIVHRRNAFRAHEHSVNNLEKSSIAIKTPFIPTEVLGNGDKLTHITLQEVKGDTTETLEIDDFIINYGFVSSLGPIKNWGLELERNSIVVNSKMETSIPGIYCAGDICTYDGKVKLIATGFGEAPTAVNNAMNFIDPKTRVQPMHSTSLFE
Complex: FAD_A_3(3AB1) / Model_4(3AB1/A) = [12.7] Download510.2533.83LDEKTKIYDITIIGGGPVGLFAAFYAGMRNASVKIIESLPQLGGQLSTLYPEKYIYDIPGYPSVRAQELVNNLIQQMKPFDPTVALEEAVQSVEKQVDGTFEIITKKDTHYSKAIIITAGNGAFEPRRLDLPEAEQYEGTNIHYFINDLSRFSGRRVAVCGGGDSAVDWALMLEKVASSVAIVHRRNAFRAHEHSVNNLEKSSIAIKTPFIPTEVLGNGDKLTHITLQEVKGDTTETLEIDDFIINYGFVSSLGPIKNWGLELERNSIVVNSKMETSIPGIYCAGDICTYDGKVKLIATGFGEAPTAVNNAMNFIDPKTRVQPMHSTSLFE
Complex: FAD_A_3(3AB1) / Model_39(3AB1/A) = [12.7] Download439.0033.83LDEKTKIYDITIIGGGPVGLFAAFYAGMRNASVKIIESLPQLGGQLSTLYPEKYIYDIPGYPSVRAQELVNNLIQQMKPFDPTVALEEAVQSVEKQVDGTFEIITKKDTHYSKAIIITAGNGAFEPRRLDLPEAEQYEGTNIHYFINDLSRFSGRRVAVCGGGDSAVDWALMLEKVASSVAIVHRRNAFRAHEHSVNNLEKSSIAIKTPFIPTEVLGNGDKLTHITLQEVKGDTTETLEIDDFIINYGFVSSLGPIKNWGLELERNSIVVNSKMETSIPGIYCAGDICTYDGKVKLIATGFGEAPTAVNNAMNFIDPKTRVQPMHSTSLFE
Complex: FAD_A_2(3LZW) / Model_37(3LZW/A) = [13.6] Download552.5440.15LDEKTKIYDITIIGGGPVGLFAAFYAGMRNASVKIIESLPQLGGQLSTLYPEKYIYDIPGYPSVRAQELVNNLIQQMKPFDPTVALEEAVQSVEKQVDGTFEIITKKDTHYSKAIIITAGNGAFEPRRLDLPEAEQYEGTNIHYFINDLSRFSGRRVAVCGGGDSAVDWALMLEKVASSVAIVHRRNAFRAHEHSVNNLEKSSIAIKTPFIPTEVLGNGDKLTHITLQEVKGDTTETLEIDDFIINYGFVSSLGPIKNWGLELERNSIVVNSKMETSIPGIYCAGDICTYDGKVKLIATGFGEAPTAVNNAMNFIDPKTRVQPMHSTSLFE
Consensus
[pKd Mean = 12.76]
-487
(s=46)
36
(s=2)
LDEKTKIYDITIIGGGPVGLFAAFYAGMRNASVKIIESLPQLGGQLSTLYPEKYIYDIPGYPSVRAQELVNNLIQQMKPFDPTVALEEAVQSVEKQVDGTFEIITKKDTHYSKAIIITAGNGAFEPRRLDLPEAEQYEGTNIHYFINDLSRFSGRRVAVCGGGDSAVDWALMLEKVASSVAIVHRRNAFRAHEHSVNNLEKSSIAIKTPFIPTEVLGNGDKLTHITLQEVKGDTTETLEIDDFIINYGFVSSLGPIKNWGLELERNSIVVNSKMETSIPGIYCAGDICTYDGKVKLIATGFGEAPTAVNNAMNFIDPKTRVQPMHSTSLFE