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The haem distal site of MaPgb*(III)-cyanide.

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posted on 12.06.2013, 02:14 by Alessandra Pesce, Lesley Tilleman, Joke Donné, Elisa Aste, Paolo Ascenzi, Chiara Ciaccio, Massimo Coletta, Luc Moens, Cristiano Viappiani, Sylvia Dewilde, Martino Bolognesi, Marco Nardini

Residues lining the haem distal pocket are indicated and shown in stick representation (yellow). Superimposition of MaPgb*(III)-cyanide to (A) ligand-free MaPgb*(III) (magenta), and (B) MaPgb*(II)-O2 (cyan). The proximal His(120)F8 residue is also shown. Amino acid residues have been labeled using their three-letter codes, the sequence numbering (in parentheses), and the topological site they occupy within the globin fold. In panel (A) the haem distal cavity entrance sites of tunnel 1 and tunnel 2 are indicated by arrows. Both panels are shown from a side and a top view. Rotation of the Phe(93)E11 side chain upon ligand binding is indicated in each top view panel. H-bonds to the haem-Fe(III)-bound cyanide are indicated by dashed lines.