Fig. 2.

Structure comparison of Human CAT bound with different ligands. a) Overall structure of Human CAT complexed with BT-Br (colored in cyan, PDB ID: 8HID). b) Superposition of the four chains in CAT (RMSD values of 0.17 Å to 0.21 Å for alignment with different chains). c) The comparison of binding modes of BT-Br (colored in cyan), NADPH (colored in magenta, PDB ID:1DGH), 3-AT (colored in green, PDB ID:1DGH) and Cyanide (colored in yellow, PDB ID:1DGG) with CAT. The RMSD value of superposition is 0.19 Å between BT-Br bound CAT and 3-AT bound CAT, or 0.20 Å between BT-Br bound CAT and Cyanide bound CAT. d) Conformational change of one key residue upon BT-Br (colored in cyan) or NADPH (colored in magenta) binding. Key binding residues are shown as sticks. RMSD value of the superposition is 0.19 Å. (For interpretation of the references to color in this figure legend, the reader is referred to the Web version of this article.)