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. Author manuscript; available in PMC: 2024 Jul 10.
Published in final edited form as: J Chem Inf Model. 2023 Jun 15;63(13):4190–4206. doi: 10.1021/acs.jcim.3c00624

Figure 1.

Figure 1.

One subunit of the bovine xanthine oxidoreductase homodimer (PDB ID: 1JRO).47 The close-up represents the XOR’s active regions in the redox reaction that are almost linearly positioned in the order of MoCo, Fe2S2, and FAD. Hydrogen atoms are not presented for more clarity, and four cysteine residues bound to the Fe2S2 cluster’s irons are shown in the sticks.