Study : Rv3548c (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] : 5 (5 maxi)

Complexes [Theoretical pKd]FileVolume (A3)
(FPocket)
Hydrophobicity
Score(FPocket)
Contacts Ligand/Receptor [<4A] in Site C2_S1
Complex: EDO_B_12(4KZP) / Model_27(4KZP/B) = [3.2] Download480.3032.00MGLVDGRVVIVTGAGGGIGRAHALAFAAEGARVVVNDIGVGLDGSPASGGSAAQDVVDEILAAGGQAVADGSDISDWDQAANLIQAAVETYGGVDVLVNNAGIVRDRMIANTSEEEFDAVIAVHLKGHFATMRHAASHWRGLSKAGKAPKDIDARIINTSSGAGLQGSVGQGNYSAAKAGIAALTLVGAAEMRRYGVTVNAIAPAARTRMTETVFAEMMAKPQEGFDAMAPENVSPLVVWLGSAESRDVTGKVFEVEGGIIRVAEGWAHGPQVDKGVKWDPAELGPVVSDLLAKSRPPVPVYGA
Complex: GOL_A_11(4KZP) / Model_2(4KZP/A) = [3.2] Download526.635.06MGLVDGRVVIVTGAGGGIGRAHALAFAAEGARVVVNDIGVGLDGSPASGGSAAQDVVDEILAAGGQAVADGSDISDWDQAANLIQAAVETYGGVDVLVNNAGIVRDRMIANTSEEEFDAVIAVHLKGHFATMRHAASHWRGLSKAGKAPKDIDARIINTSSGAGLQGSVGQGNYSAAKAGIAALTLVGAAEMRRYGVTVNAIAPAARTRMTETVFAEMMAKPQEGFDAMAPENVSPLVVWLGSAESRDVTGKVFEVEGGIIRVAEGWAHGPQVDKGVKWDPAELGPVVSDLLAKSRPPVPVYGA
Complex: NAP_C_7(4DMM) / Model_97(4DMM/C) = [9.7] Download1645.1012.97MGLVDGRVVIVTGAGGGIGRAHALAFAAEGARVVVNDIGVGLDGSPASGGSAAQDVVDEILAAGGQAVADGSDISDWDQAANLIQAAVETYGGVDVLVNNAGIVRDRMIANTSEEEFDAVIAVHLKGHFATMRHAASHWRGLSKAGKAPKDIDARIINTSSGAGLQGSVGQGNYSAAKAGIAALTLVGAAEMRRYGVTVNAIAPAARTRMTETVFAEMMAKPQEGFDAMAPENVSPLVVWLGSAESRDVTGKVFEVEGGIIRVAEGWAHGPQVDKGVKWDPAELGPVVSDLLAKSRPPVPVYGA
Complex: NAP_D_8(4DMM) / Model_96(4DMM/D) = [9.7] Download1898.4916.38MGLVDGRVVIVTGAGGGIGRAHALAFAAEGARVVVNDIGVGLDGSPASGGSAAQDVVDEILAAGGQAVADGSDISDWDQAANLIQAAVETYGGVDVLVNNAGIVRDRMIANTSEEEFDAVIAVHLKGHFATMRHAASHWRGLSKAGKAPKDIDARIINTSSGAGLQGSVGQGNYSAAKAGIAALTLVGAAEMRRYGVTVNAIAPAARTRMTETVFAEMMAKPQEGFDAMAPENVSPLVVWLGSAESRDVTGKVFEVEGGIIRVAEGWAHGPQVDKGVKWDPAELGPVVSDLLAKSRPPVPVYGA
Complex: NAP_B_6(4DMM) / Model_98(4DMM/B) = [10.4] Download1471.5013.51MGLVDGRVVIVTGAGGGIGRAHALAFAAEGARVVVNDIGVGLDGSPASGGSAAQDVVDEILAAGGQAVADGSDISDWDQAANLIQAAVETYGGVDVLVNNAGIVRDRMIANTSEEEFDAVIAVHLKGHFATMRHAASHWRGLSKAGKAPKDIDARIINTSSGAGLQGSVGQGNYSAAKAGIAALTLVGAAEMRRYGVTVNAIAPAARTRMTETVFAEMMAKPQEGFDAMAPENVSPLVVWLGSAESRDVTGKVFEVEGGIIRVAEGWAHGPQVDKGVKWDPAELGPVVSDLLAKSRPPVPVYGA
Consensus
[pKd Mean = 7.24]
-1204
(s=588)
15
(s=8)
MGLVDGRVVIVTGAGGGIGRAHALAFAAEGARVVVNDIGVGLDGSPASGGSAAQDVVDEILAAGGQAVADGSDISDWDQAANLIQAAVETYGGVDVLVNNAGIVRDRMIANTSEEEFDAVIAVHLKGHFATMRHAASHWRGLSKAGKAPKDIDARIINTSSGAGLQGSVGQGNYSAAKAGIAALTLVGAAEMRRYGVTVNAIAPAARTRMTETVFAEMMAKPQEGFDAMAPENVSPLVVWLGSAESRDVTGKVFEVEGGIIRVAEGWAHGPQVDKGVKWDPAELGPVVSDLLAKSRPPVPVYGA