Study : bsu17370 (atomeDB@cbs.cnrs.fr)


Main Binding Site Prediction:


Binding Site Prediction

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Binding Site Number :C4_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 C4_S1
Complex: FMN_A_2(2X2O) / Model_2(2X2O/A) = [9.4] Download689.0719.45MVQIIFDSKTGNVQRFVNKTGFQQIRKVDEMDHVDTPFVLVTYTTNFGQVPASTQSFLEKYAHLLLGVAASGNKVWGDNFAKSADTISRQYQVPILHKFELSGTSKDVELFTQEVERVVTKSSAKMDPVK
Complex: FMN_A_2(2XOD) / Model_26(2XOD/A) = [9.5] Download818.3819.45MVQIIFDSKTGNVQRFVNKTGFQQIRKVDEMDHVDTPFVLVTYTTNFGQVPASTQSFLEKYAHLLLGVAASGNKVWGDNFAKSADTISRQYQVPILHKFELSGTSKDVELFTQEVERVVTKSSAKMDPVK
Complex: FMN_A_2(2XOD) / Model_6(2XOD/A) = [9.5] Download681.6519.45MVQIIFDSKTGNVQRFVNKTGFQQIRKVDEMDHVDTPFVLVTYTTNFGQVPASTQSFLEKYAHLLLGVAASGNKVWGDNFAKSADTISRQYQVPILHKFELSGTSKDVELFTQEVERVVTKSSAKMDPVK
Complex: FMN_D_4(1RLJ) / Model_44(1RLJ/A) = [9.9] Download794.7317.89MVQIIFDSKTGNVQRFVNKTGFQQIRKVDEMDHVDTPFVLVTYTTNFGQVPASTQSFLEKYAHLLLGVAASGNKVWGDNFAKSADTISRQYQVPILHKFELSGTSKDVELFTQEVERVVTKSSAKMDPVK
Complex: FMN_D_4(1RLJ) / Model_24(1RLJ/A) = [9.9] Download842.6317.89MVQIIFDSKTGNVQRFVNKTGFQQIRKVDEMDHVDTPFVLVTYTTNFGQVPASTQSFLEKYAHLLLGVAASGNKVWGDNFAKSADTISRQYQVPILHKFELSGTSKDVELFTQEVERVVTKSSAKMDPVK
Consensus
[pKd Mean = 9.64]
-765
(s=67)
18
(s=1)
MVQIIFDSKTGNVQRFVNKTGFQQIRKVDEMDHVDTPFVLVTYTTNFGQVPASTQSFLEKYAHLLLGVAASGNKVWGDNFAKSADTISRQYQVPILHKFELSGTSKDVELFTQEVERVVTKSSAKMDPVK