Iron in the structure of Structure Of the Mutant VAL169CYS of Catalase Hpii From Escherichia Coli (pdb 1cf9)

The binding sites of Iron atom in the structure of Structure Of the Mutant VAL169CYS of Catalase Hpii From Escherichia Coli (pdb code 1cf9). This binding sites where shown with 5.0 Angstroms radius around Iron atom. The 1cf9 structure was solved by M.J.MATE, P.C.LOEWEN, I.FITA, with X-Ray Crystallography technique, brief refinement statistics is given in the table below: Resolution (A) 20.0-1.8 Space group P1211 a (A) 93.470 b (A) 133.040 c (A) 122.220 alpha (°) 90.00 beta (°) 109.64 gamma (°) 90.00 Rfactor (%) 18.1 Rfree (%) 23.7 Iron Binding Sites: Iron binding site 1 out of 4 in 1cf9 Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 1 of Iron in the PDB 1cf9. Coordination sphere was calculated for all residues within 5.0 Angstroms distance from the central Iron atom, shown by VdW sphere Residues shown as a stick model or VDW spheres: A: Val127, A: His128, A: Phe214, A: Arg411, A: Tyr415, A: Hem754, A: Hoh1118, conact list: Atom Atom Distance (A) Fe CG2 A:Val127 4.58 Fe CD2 A:His128 4.86 Fe CZ A:Phe214 4.77 Fe CD A:Arg411 4.92 Fe CZ A:Arg411 4.36 Fe NE A:Arg411 3.86 Fe NH2 A:Arg411 4.16 Fe CE2 A:Tyr415 3.55 Fe CD2 A:Tyr415 4.83 Fe CZ A:Tyr415 2.95 Fe CE1 A:Tyr415 3.88 Fe OH A:Tyr415 1.97 Fe C2D A:Hem754 4.29 Fe NC A:Hem754 2.02 Fe CHB A:Hem754 3.46 Fe CHC A:Hem754 3.44 Fe C3D A:Hem754 4.28 Fe NA A:Hem754 2.05 Fe CHA A:Hem754 3.46 Fe C2A A:Hem754 4.30 Fe C1D A:Hem754 3.06 Fe C4A A:Hem754 3.07 Fe C4B A:Hem754 3.05 Fe C3A A:Hem754 4.30 Fe C4C A:Hem754 3.01 Fe C2B A:Hem754 4.27 Fe C1C A:Hem754 3.04 Fe C2C A:Hem754 4.23 Fe ND A:Hem754 2.02 Fe CHD A:Hem754 3.45 Fe C1B A:Hem754 3.06 Fe NB A:Hem754 2.03 Fe FE A:Hem754 0.00 Fe C3C A:Hem754 4.24 Fe C3B A:Hem754 4.28 Fe C4D A:Hem754 3.11 Fe C1A A:Hem754 3.08 Fe O A:Hoh1118 4.12 interactive model: Iron binding site 2 out of 4 in 1cf9 Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 2 of Iron in the PDB 1cf9. Coordination sphere was calculated for all residues within 5.0 Angstroms distance from the central Iron atom, shown by VdW sphere Residues shown as a stick model or VDW spheres: B: Val127, B: His128, B: Phe214, B: Arg411, B: Tyr415, B: Hem754, B: Hoh1285, conact list: Atom Atom Distance (A) Fe CG2 B:Val127 4.62 Fe CD2 B:His128 4.90 Fe CZ B:Phe214 4.78 Fe CZ B:Arg411 4.44 Fe NE B:Arg411 3.99 Fe NH2 B:Arg411 4.12 Fe CE2 B:Tyr415 3.64 Fe CD2 B:Tyr415 4.92 Fe CZ B:Tyr415 3.00 Fe CE1 B:Tyr415 3.90 Fe OH B:Tyr415 1.98 Fe C2D B:Hem754 4.29 Fe NC B:Hem754 2.03 Fe CHB B:Hem754 3.43 Fe CHC B:Hem754 3.45 Fe C3D B:Hem754 4.32 Fe NA B:Hem754 2.05 Fe CHA B:Hem754 3.50 Fe C2A B:Hem754 4.33 Fe C1D B:Hem754 3.05 Fe C4A B:Hem754 3.09 Fe C4B B:Hem754 3.05 Fe C3A B:Hem754 4.31 Fe C4C B:Hem754 3.02 Fe C2B B:Hem754 4.26 Fe C1C B:Hem754 3.05 Fe C2C B:Hem754 4.25 Fe ND B:Hem754 2.04 Fe CHD B:Hem754 3.40 Fe C1B B:Hem754 3.04 Fe NB B:Hem754 2.04 Fe FE B:Hem754 0.00 Fe C3C B:Hem754 4.26 Fe C3B B:Hem754 4.26 Fe C4D B:Hem754 3.10 Fe C1A B:Hem754 3.08 Fe O B:Hoh1285 3.99 interactive model: Iron binding site 3 out of 4 in 1cf9 Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 3 of Iron in the PDB 1cf9. Coordination sphere was calculated for all residues within 5.0 Angstroms distance from the central Iron atom, shown by VdW sphere Residues shown as a stick model or VDW spheres: C: Val127, C: His128, C: Phe214, C: Arg411, C: Tyr415, C: Hem754, conact list: Atom Atom Distance (A) Fe CG2 C:Val127 4.65 Fe CD2 C:His128 4.91 Fe CZ C:Phe214 4.73 Fe CD C:Arg411 4.93 Fe CZ C:Arg411 4.43 Fe NE C:Arg411 3.96 Fe NH2 C:Arg411 4.07 Fe CE2 C:Tyr415 3.60 Fe CD2 C:Tyr415 4.88 Fe CZ C:Tyr415 2.95 Fe CE1 C:Tyr415 3.82 Fe OH C:Tyr415 1.98 Fe C2D C:Hem754 4.31 Fe NC C:Hem754 2.05 Fe CHB C:Hem754 3.43 Fe CHC C:Hem754 3.46 Fe C3D C:Hem754 4.31 Fe NA C:Hem754 2.01 Fe CHA C:Hem754 3.44 Fe C2A C:Hem754 4.27 Fe C1D C:Hem754 3.09 Fe C4A C:Hem754 3.03 Fe C4B C:Hem754 3.05 Fe C3A C:Hem754 4.25 Fe C4C C:Hem754 3.06 Fe C2B C:Hem754 4.25 Fe C1C C:Hem754 3.07 Fe C2C C:Hem754 4.27 Fe ND C:Hem754 2.05 Fe CHD C:Hem754 3.44 Fe C1B C:Hem754 3.03 Fe NB C:Hem754 2.03 Fe FE C:Hem754 0.00 Fe C3C C:Hem754 4.29 Fe C3B C:Hem754 4.25 Fe C4D C:Hem754 3.09 Fe C1A C:Hem754 3.05 interactive model: Iron binding site 4 out of 4 in 1cf9 Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 4 of Iron in the PDB 1cf9. Coordination sphere was calculated for all residues within 5.0 Angstroms distance from the central Iron atom, shown by VdW sphere Residues shown as a stick model or VDW spheres: D: Val127, D: His128, D: Phe214, D: Arg411, D: Tyr415, D: Hem754, D: Hoh1446, conact list: Atom Atom Distance (A) Fe CG2 D:Val127 4.62 Fe CD2 D:His128 4.94 Fe CZ D:Phe214 4.67 Fe CD D:Arg411 4.98 Fe CZ D:Arg411 4.46 Fe NE D:Arg411 3.94 Fe NH2 D:Arg411 4.12 Fe CE2 D:Tyr415 3.68 Fe CD2 D:Tyr415 4.93 Fe CZ D:Tyr415 3.00 Fe CE1 D:Tyr415 3.91 Fe OH D:Tyr415 1.99 Fe C2D D:Hem754 4.25 Fe NC D:Hem754 2.03 Fe CHB D:Hem754 3.48 Fe CHC D:Hem754 3.43 Fe C3D D:Hem754 4.24 Fe NA D:Hem754 2.07 Fe CHA D:Hem754 3.41 Fe C2A D:Hem754 4.33 Fe C1D D:Hem754 3.03 Fe C4A D:Hem754 3.12 Fe C4B D:Hem754 3.06 Fe C3A D:Hem754 4.34 Fe C4C D:Hem754 3.03 Fe C2B D:Hem754 4.28 Fe C1C D:Hem754 3.06 Fe C2C D:Hem754 4.25 Fe ND D:Hem754 2.02 Fe CHD D:Hem754 3.43 Fe C1B D:Hem754 3.06 Fe NB D:Hem754 2.03 Fe FE D:Hem754 0.00 Fe C3C D:Hem754 4.25 Fe C3B D:Hem754 4.27 Fe C4D D:Hem754 3.04 Fe C1A D:Hem754 3.08 Fe O D:Hoh1446 4.36 interactive model: