1.20.4.1 comparative homology modeling. Along with Cys11, the residues like Ile8, Pro9, Asn10, Gly12, Thr13, Cys14, Lys15, and Phe18 also show coordination with arsenate 727580 1.20.4.1 in silico modeling of disulfide bonds into the solution NMR structure of the fully-reduced enzyme. C8/C82 and C80C82 disulfides are equally consistent 727076 1.20.4.1 molecular modeing of structure. Residues Cys12, Arg60, Arg94, and Arg107 are identified as metal binding residues 728218 1.20.4.1 molecular modeling and docking with asenate oxyanion. Residues Cys11, Ile8, Pro9, Asn10, Gly12, Thr13, Cys14, Lys15, and Phe18 show coordination with arsenate 727580