Figure 3.

Examples of complementary use of HT-XAS and homology modeling. (A) Zn-binding site for target NYSGXRC-892d (aka T812). MetalDetector (Passerini et al. 2006) identified three residues, His70, Cys98, and Cys101, with mbss of 0.42, 0.80, and 0.73, respectively, suggesting that this protein most likely binds metal. Another His residue, His95, is located nearby and likely contributes to metal binding. (B) Ni/Zn-binding site in the homology model of NYSGXRC-10060e.

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