1B illustrates the prepared structures of the protein after removal of hetero atoms, ligands and water molecules with a sphere around the active site
. In the structure of the apo form, putative isocitrate-binding residues (Ser109, Asn111, Arg115, Arg125, Arg149, Asp298, Tyr156, Lys223', Asn225', and Arg274', the prime designates a residue from the adjacent subunit) involved in the binding of isocitrate in prokaryotic NADPIDHs are exposed to the inner surface in the deep cleft of the active site
The [zeta] CA active site
resembles that of [beta] Cas coordinating the metal ion to a His and two Cys residues (x, x+52, x+62, where x=263 in CDCA1) .
In the 1990s, homology models of CYP1A1 and CYP1A2 binding sites were generated from the bacterial CYP102 crystal structure via residue replacement and energy minimization procedures, and a series of known substrates and inhibitors of the CYP1A subfamily were docked interactively to the active sites
The major interactions between 5 and PTP1B active sites
are shown in Figure 8(b), which was similar to 3.
We created a simple and effective bioinformatics module to test its efficacy in educating students about phylogeny as well as visualizing and locating the active site
of the subject enzymes in an undergraduate one-semester biochemistry class.
For the 3-phytase A, the active site
is conformed by amino acids [R.sub.58], [H.sub.59], [R.sub.62], [R.sub.142], and [D.sub.339]  (Figure 3(b)), and for the 3-phytase B the active site
is conformed by amino acids [R.sub.62], [H.sub.63], [R.sub.66], [R.sub.156], [H.sub.318], and [D.sub.319]  (Figures 3(c) and 3(d)).
LeadIT (FlexX) is a flexible docking method that uses an incremental construction (IC) algorithm and a pure empirical scoring function similar to the one developed by Bohm and coworkers to place ligands into the active site
. IC algorithms first dissect each molecule into a set of rigid fragments according to rotatable bonds and then incrementally assemble the fragments around the binding pocket.
The NarL protein (in the asymmetric unit) is a homotetramer containing 4 identical subunits having their independent active sites
each for subunits A, B, C, and D, respectively.
Serine-carboxyl peptidases are a kind of pepstatin-insensitive acid peptidases and are classified in the MEROPS peptidase data as family S53 enzymes including sedolisin and its homologs, which possess catalytic serine and carboxyl groups at the active sites
. They are structurally related to subtilisin.
A lot of research has been developed on the performance improvement of semiconductor material by providing active sites
and structuring semiconductor surface [2-7].
Based on technology to remove heavy metals from waste streams, the highly porous silica substrate maximizes the density of chemically active sites
, allowing facile diffusion through the domains of the sorbent material.