Fig. 1
From: Identification of new ClpC1-NTD binders for Mycobacterium tuberculosis drug development
In silico screen structures of the antibiotic bound ClpC1 NTD. (A) Cyclomarin (PDBid: 3WDC), (B) Ecumicin (PDBid: 6PBS) and (C) Rufomycin (PDBid: 6CN8). Antibiotics are shown in dark blue stick representation. Coloured ClpC1 NTD binding sites are: A) blue, residues: M1, F2, E3, Q17, F80, K85, E89. (B) pink: M1, F2, E3, R4, V14, Q17, H77, K85, L92, L96. (C) green, residues: M1, F2, V13, H77, F80, E89. (D) The 9 first structures selected through an Autodock Vina energy score ranking based on the three binding sites described in (A–C). A black reference line is marking the cut off at 9 compounds.
