Figure 5
Visualization of whole structure annotation: (a) validation data from wwPDB validation reports (PDB entry 2bg9; Unwin, 2005), (b) partial atomic charges from Atomic Charge Calculator II (ACC II; Raček et al., 2020) (PDB entry 2bg9) and (c) pore from ChannelsDB (Pravda et al., 2018) (PDB entry 2bg9). Visualization of ligand annotation: (d) ligand-validation data from ValidatorDB (Sehnal, Svobodová Vařeková et al., 2015) including electron densities (PDB entry 3d12; Xu et al., 2008), (e) partial atomic charges on ligands from ACC II (PDB residue ID PFL) and (f) carbohydrate nomenclature visualization (Sehnal & Grant, 2019) (PDB entry 3sgj; Ferrara et al., 2011). |