Study : Lmo1388 (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: ADN_A_2(2FQY) / Model_3(2FQY/A) = [5.8] Download456.8716.59VKKRTFALALSMIIASGVILGACGSSSDDKKSSDDKSSKDFTVAMVTDTGGVDDRSFNQSAWEGLQKFGKANDMEKGTDGYNYLQSASEADYKTNLNTAVRSDYDLIYGIGYKLKDAIEEVSKQKPKNQFAIVDDTIDDRDNVVSIGFKDNDGSYLVGVVAGLTTKTNKVGFVGGVKGTVIDRFEAGFTAGVKAVNPNAQIDVQYANDFAKADKGQQIASSMYSSGVDVIFHAAGGTGNGVFAEAKNLKKKDPSRAVWVIGVDRDQWDEGKVTANDGKDYNVTLTSEIKRVDIAVEDLATRAKAGDFPGGTKIEYGLDKDAVGLSEHQDNISKDVLAKVEEYKQKIVDGDIKVPEKP
Complex: NOS_A_2(2FQW) / Model_1(2FQW/A) = [6.6] Download533.7118.72VKKRTFALALSMIIASGVILGACGSSSDDKKSSDDKSSKDFTVAMVTDTGGVDDRSFNQSAWEGLQKFGKANDMEKGTDGYNYLQSASEADYKTNLNTAVRSDYDLIYGIGYKLKDAIEEVSKQKPKNQFAIVDDTIDDRDNVVSIGFKDNDGSYLVGVVAGLTTKTNKVGFVGGVKGTVIDRFEAGFTAGVKAVNPNAQIDVQYANDFAKADKGQQIASSMYSSGVDVIFHAAGGTGNGVFAEAKNLKKKDPSRAVWVIGVDRDQWDEGKVTANDGKDYNVTLTSEIKRVDIAVEDLATRAKAGDFPGGTKIEYGLDKDAVGLSEHQDNISKDVLAKVEEYKQKIVDGDIKVPEKP
Complex: GMP_A_2(2FQX) / Model_2(2FQX/A) = [7.2] Download612.4318.31VKKRTFALALSMIIASGVILGACGSSSDDKKSSDDKSSKDFTVAMVTDTGGVDDRSFNQSAWEGLQKFGKANDMEKGTDGYNYLQSASEADYKTNLNTAVRSDYDLIYGIGYKLKDAIEEVSKQKPKNQFAIVDDTIDDRDNVVSIGFKDNDGSYLVGVVAGLTTKTNKVGFVGGVKGTVIDRFEAGFTAGVKAVNPNAQIDVQYANDFAKADKGQQIASSMYSSGVDVIFHAAGGTGNGVFAEAKNLKKKDPSRAVWVIGVDRDQWDEGKVTANDGKDYNVTLTSEIKRVDIAVEDLATRAKAGDFPGGTKIEYGLDKDAVGLSEHQDNISKDVLAKVEEYKQKIVDGDIKVPEKP
Complex: GMP_A_2(2FQX) / Model_49(2FQX/A) = [7.2] Download540.9718.31VKKRTFALALSMIIASGVILGACGSSSDDKKSSDDKSSKDFTVAMVTDTGGVDDRSFNQSAWEGLQKFGKANDMEKGTDGYNYLQSASEADYKTNLNTAVRSDYDLIYGIGYKLKDAIEEVSKQKPKNQFAIVDDTIDDRDNVVSIGFKDNDGSYLVGVVAGLTTKTNKVGFVGGVKGTVIDRFEAGFTAGVKAVNPNAQIDVQYANDFAKADKGQQIASSMYSSGVDVIFHAAGGTGNGVFAEAKNLKKKDPSRAVWVIGVDRDQWDEGKVTANDGKDYNVTLTSEIKRVDIAVEDLATRAKAGDFPGGTKIEYGLDKDAVGLSEHQDNISKDVLAKVEEYKQKIVDGDIKVPEKP
Complex: GMP_A_2(2FQX) / Model_28(2FQX/A) = [7.2] Download563.4118.31VKKRTFALALSMIIASGVILGACGSSSDDKKSSDDKSSKDFTVAMVTDTGGVDDRSFNQSAWEGLQKFGKANDMEKGTDGYNYLQSASEADYKTNLNTAVRSDYDLIYGIGYKLKDAIEEVSKQKPKNQFAIVDDTIDDRDNVVSIGFKDNDGSYLVGVVAGLTTKTNKVGFVGGVKGTVIDRFEAGFTAGVKAVNPNAQIDVQYANDFAKADKGQQIASSMYSSGVDVIFHAAGGTGNGVFAEAKNLKKKDPSRAVWVIGVDRDQWDEGKVTANDGKDYNVTLTSEIKRVDIAVEDLATRAKAGDFPGGTKIEYGLDKDAVGLSEHQDNISKDVLAKVEEYKQKIVDGDIKVPEKP
Consensus
[pKd Mean = 6.80]
-541
(s=50)
18
(s=0)
VKKRTFALALSMIIASGVILGACGSSSDDKKSSDDKSSKDFTVAMVTDTGGVDDRSFNQSAWEGLQKFGKANDMEKGTDGYNYLQSASEADYKTNLNTAVRSDYDLIYGIGYKLKDAIEEVSKQKPKNQFAIVDDTIDDRDNVVSIGFKDNDGSYLVGVVAGLTTKTNKVGFVGGVKGTVIDRFEAGFTAGVKAVNPNAQIDVQYANDFAKADKGQQIASSMYSSGVDVIFHAAGGTGNGVFAEAKNLKKKDPSRAVWVIGVDRDQWDEGKVTANDGKDYNVTLTSEIKRVDIAVEDLATRAKAGDFPGGTKIEYGLDKDAVGLSEHQDNISKDVLAKVEEYKQKIVDGDIKVPEKP