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. 2021 Jan 1;7(1):eabd8523. doi: 10.1126/sciadv.abd8523

Fig. 2. Rotation of His250 (HisCAT) imidazole in each structure.

Fig. 2

(A) Nδ1 atom of HisCAT in as-isolated Br2DNiR SRX (green) v SF-ROX (cyan) structures, both forming a strong hydrogen bond with main-chain O atom of Glu274. (B) HisCAT in nitrite-bound Br2DNiR SRX (orange) v SF-ROX (magenta) structures; Nδ1 atom of HisCAT forms a strong hydrogen bond with main-chain O atom of Glu274 in nitrite-bound SF-ROX structure but is rotated in nitrite-bound SRX structure to form a new hydrogen bond with Oγ1 of Thr275. (C) Nδ1 atom of HisCAT in NO-bound/T1Cu-reduced Br2DNiR SRX (white) v SF-ROX (purple) structures forms a strong hydrogen bond with main-chain O atom of Glu274. (D) Superimposition of all Br2DNiR structures, HisCAT rotation and change in hydrogen bond position, is only observed in atomic-resolution SRX nitrite-bound structure.