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The binding sphere was defined based on the protein data bank (PDB) definition.
In the present study, search was performed on the global surface of the protein by similarity and substructure searching [ 52], and the automatic identification of binding sphere was considered as highly significant.
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The energy minimized individual proteins and the designed structures along with the binding site sphere radius (Table 2; Fig. 3) and the X, Y and Z coordinates (Table 3) were submitted to the C-Docker job parameter.
We specified the ligand placement in the active site using a binding site sphere of radius 10 Å in the conformer simulation for each ligand.
To mitigate the electrostatic interaction between spheres and a PEM-modified glass subsrate prepared at 1.0 mol/L NaCl solution, the substrate was preheated prior to binding of spheres.
In future applications, we envision this technology to be suitable for emergent, in-field usage for acutely biohazard exposed victims as both the injectable toxin-binding magnetic spheres and the separator device are made to be portable, light-weight, zero-power, and self- or helper-employed.
Related to Figure 3 Alternation of the locked and open conformations of AP2, in ribbon representation, showing the C-μ2 domain (magenta) moving out of the α-β2 bowl, exposing the motif-binding sites (spheres).
R175H is located in the L2 loop of the DNA-binding domain in a vicinity of the zinc coordination sphere.
More specifically, the DFT calculation results indicate that the type B ternary surface complexes prefer to form outer-sphere or monodentate inner-sphere binding mode under our experimental conditions.
(B ) Local structure of the Zn2+ (silver sphere) binding site on RCK2 with Fo Fc ion omit map (blue mesh) contoured at 9σ. (C ) Stereoview of the inter-subunit interactions at the assembly interface.
(C) Expression levels of all genes encoding transcription factors with T-box binding domains at sphere stage detected by RNA-seq (fragmentsagments per kilobase of exon per million mapped reads).
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